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VUC

VUC
Name:	melphalan
Formula:	C13 H18 Cl2 N2 O2
SMILES:	N[CH](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O
InChi:	InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1
Synonyms:	(2~{S})-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Definition date:	2023-08-18
Last modified:	2025-11-12
Release date:	2025-02-12
Identifier:	(2~{S})-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid

A1BYZ

A1BYZ
Name:	Simvastatin
Formula:	C25 H38 O5
SMILES:	CC(C)(CC)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
InChi:	InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
Synonyms:	(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
Definition date:	2025-03-05
Last modified:	2025-11-12
Release date:	2025-10-08
Identifier:	(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

A1CEA

A1CEA
Name:	Canertinib
Formula:	C24 H25 Cl F N5 O3
SMILES:	Fc1ccc(cc1Cl)Nc1ncnc2cc(OCCCN3CCOCC3)c(NC(=O)C=C)cc21
InChi:	InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
Synonyms:	N-{4-(3-chloro-4-fluoroanilino)-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide
Definition date:	2025-05-27
Last modified:	2025-11-12
Release date:	2025-10-08
Identifier:	N-{4-(3-chloro-4-fluoroanilino)-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide

A1LXC

A1LXC
Name:	Salvianolic Acid B
Formula:	C36 H32 O16
SMILES:	OC(=O)[CH](Cc1ccc(O)c(O)c1)OC(=O)CCc2ccc(O)c3O[CH]([CH](C(=O)O[CH](Cc4ccc(O)c(O)c4)C(O)=O)c23)c5ccc(O)c(O)c5
InChi:	InChI=1S/C36H32O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-4,6-9,11-12,15,27-28,31-32,37-43H,5,10,13-14H2,(H,45,46)(H,47,48)/t27-,28-,31+,32-/m1/s1
Definition date:	2024-01-31
Last modified:	2025-11-12
Release date:	2025-10-01
Identifier:	(2~{R})-3-[3,4-bis(oxidanyl)phenyl]-2-[3-[(2~{S},3~{S})-2-[3,4-bis(oxidanyl)phenyl]-3-[(2~{R})-3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]oxycarbonyl-7-oxidanyl-2,3-dihydro-1-benzofuran-4-yl]propanoyloxy]propanoic acid

XCO

XCO
Name:	Co-substituted beta-Keggin
Formula:	Co O39 Si W11
SMILES:	O.O=[W]1234O[Co]567O[W]89(O1)O[W]%10%11(=O)(O2)O[W]%12%13%14(=O)O[W]%15%16(=O)(O8)O[W]%17%18(=O)(O5)O[W]%19%20(=O)(O6)O[W]%21%22(=O)(O3)O[W]%23%24(=O)(O%19)O[W](=O)(O%17)(O%15)(O%12)[O]%16%18[Si]([O]479)([O]%20%21%23)[O]%10%13[W](=O)(O%11)(O%22)(O%24)O%14
InChi:	InChI=1S/Co.O4Si.H2O.34O.11W/c
Definition date:	2019-06-03
Last modified:	2025-11-11
Release date:	2019-09-18

XTX

XTX
Name:	tris($l^{3}-oxidanylidynemethyl)manganese
Formula:	C3 Mn O3
SMILES:	[Mn].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChi:	InChI=1S/3CO.Mn/c3*1-2
Definition date:	2023-11-10
Last modified:	2025-11-11
Release date:	2024-07-31
Identifier:	tris($l^{3}-oxidanylidynemethyl)manganese

ZN0

ZN0
Name:	Triethyltin chloride
Formula:	C6 H15 Cl Sn
SMILES:	CC[Sn](Cl)(CC)CC
InChi:	InChI=1S/3C2H5.ClH.Sn/c3*1-2
Definition date:	2016-12-16
Last modified:	2025-11-11
Release date:	2017-01-11
Identifier:	chloranyl(triethyl)stannane

ZN8

ZN8
Name:	Trimethyltin chloride
Formula:	C3 H9 Cl Sn
SMILES:	C[Sn](C)(C)Cl
InChi:	InChI=1S/3CH3.ClH.Sn/h3*1H3
Definition date:	2016-12-16
Last modified:	2025-11-11
Release date:	2017-01-11
Identifier:	chloranyl(trimethyl)stannane

ZN9

ZN9
Name:	Trimethyllead bromide
Formula:	C3 H9 Br Pb
SMILES:	C[Pb](C)(C)Br
InChi:	InChI=1S/3CH3.BrH.Pb/h3*1H3
Definition date:	2016-12-16
Last modified:	2025-11-11
Release date:	2017-01-11
Identifier:	bromanyl(trimethyl)plumbane

VG1

VG1
Name:	ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE
Formula:	C6 H13 O12 P V
SMILES:	O=P(OC1OC(C(O)C(O)C1O)CO[V](=O)(=O)O)(O)O
InChi:	InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13
Definition date:	1999-08-24
Last modified:	2025-11-11
Identifier:	hydroxy(dioxo)(1-O-phosphono-alpha-D-glucopyranosato-kappaO~6~)vanadium

RU2

RU2
Name:	pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium
Formula:	C H10 O6 Ru
SMILES:	[OH2+][Ru]([OH2+])([OH2+])([OH2+])([OH2+])C#[O+]
InChi:	InChI=1S/CO.5H2O.Ru/c1-2
Definition date:	2017-06-27
Last modified:	2025-11-11
Release date:	2017-07-26
Identifier:	pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium

ZRC

ZRC
Name:	OXO ZIRCONIUM(IV) CLUSTER
Formula:	O17 P Zr3
SMILES:	[O-][Zr]123([O-])([O-])O[P]4(=O)O[Zr]5([O-])([O-])([O-])(O1)O[Zr]([O-])([O-])([O-])(O4)(O2)[O+]35
InChi:	InChI=1S/H3O4P.13O.3Zr/c1-5(2,3)4
Definition date:	2004-09-08
Last modified:	2025-11-11

YGQ

YGQ
Name:	Gonyautoxin II
Formula:	C10 H17 N7 O8 S
SMILES:	NC(=O)OCC1N=C(N)N2CC(OS(=O)(=O)O)C(O)(O)C32NC(N)=NC13
InChi:	InChI=1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)/t3-,4+,5-,9-/m0/s1
Definition date:	2023-12-04
Last modified:	2025-11-11
Release date:	2025-05-07
Identifier:	[(3aS,4R,7R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

A1ATU

A1ATU
Name:	Torasemide
Formula:	C16 H20 N4 O3 S
SMILES:	O=S(=O)(NC(=O)NC(C)C)c1cnccc1Nc1cc(C)ccc1
InChi:	InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
Definition date:	2024-05-31
Last modified:	2025-11-11
Release date:	2025-02-12
Identifier:	4-(3-methylanilino)-N-[(propan-2-yl)carbamoyl]pyridine-3-sulfonamide

9QB

9QB
Name:	chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium
Formula:	C3 H4 Cl O5 Ru
SMILES:	[OH2+][Ru]([OH2+])(Cl)(C#[O+])(C#[O+])C#[O+]
InChi:	InChI=1S/3CO.ClH.2H2O.Ru/c3*1-2
Definition date:	2017-06-27
Last modified:	2025-11-11
Release date:	2017-07-26
Identifier:	chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium

E5O

E5O
Name:	2-bromanyl-9-ethyl-~{N},~{N},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine
Formula:	C11 H16 Br Cu N5 S
SMILES:	CCc1ncc[n+]2c1C(=[N+]3N=C(S[Cu--]23Br)N(C)C)C
InChi:	InChI=1S/C11H17N5S.BrH.Cu/c1-5-9-10(13-7-6-12-9)8(2)14-15-11(17)16(3)4
Definition date:	2019-10-18
Last modified:	2025-11-11
Release date:	2020-10-21
Identifier:	2-bromanyl-9-ethyl-~{N},~{N},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine

F7T

F7T
Name:	alkylated sulphonate-N,N-pyridylbenzimidazole-Pt complex
Formula:	C15 H15 Cl2 N3 O3 Pt S
SMILES:	O=S(=O)(O)CCCn1c2ccccc2[n+]2c1c1cccc[n+]1[Pt]2(Cl)Cl
InChi:	InChI=1S/C15H15N3O3S.2ClH.Pt/c19-22(20,21)11-5-10-18-14-8-2-1-6-12(14)17-15(18)13-7-3-4-9-16-13
Definition date:	2018-06-07
Last modified:	2025-11-11
Release date:	2018-07-25
Identifier:	(SP-4-3)-dichlorido{3-[2-(pyridin-2-yl-kappaN)-1H-1,3-benzimidazol-1-yl-kappaN~3~]propane-1-sulfonato}platinum(2+)

BPT

BPT
Name:	BIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEX
Formula:	C4 H24 Cl2 N6 Pt2
SMILES:	N.N.N.N.NCCCCN.Cl[Pt].Cl[Pt]
InChi:	InChI=1S/C4H12N2.2ClH.4H3N.2Pt/c5-3-1-2-4-6
Synonyms:	1,1/T,T
Definition date:	1999-07-08
Last modified:	2025-11-11
Identifier:	chloranyl-[4-[(chloranyl-bis($l^{4}-azanyl)platinio)-$l^{4}-azanyl]butyl-$l^{4}-azanyl]-bis($l^{4}-azanyl)platinum

JSU

JSU
Name:	trichloro((3~{a}~{S},4~{S},6~{a}~{R})-4-[(5~{R})-5-oxidanyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethylamino]pentyl]-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-2-one)rhodium(3+)
Formula:	C21 H32 Cl3 N3 O2 Rh S
SMILES:	[Cl-].[Cl-].[Cl-].[Rh+3].CC1=C(C)C(=C(C)[C-]1CCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)C
InChi:	InChI=1S/C21H32N3O2S.3ClH.Rh/c1-12-13(2)15(4)16(14(12)3)9-10-22-19(25)8-6-5-7-18-20-17(11-27-18)23-21(26)24-20
Definition date:	2022-08-26
Last modified:	2025-11-11
Release date:	2024-02-28

M10

M10
Name:	(mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI)
Formula:	Mo3 O13
SMILES:	[O-][Mo]\|12([O-])([O-])O[Mo]3([O-])([O-])([O-])O\|1[Mo]([O-])([O-])(=O)(O2)O3
InChi:	InChI=1S/3Mo.13O/q
Synonyms:	Trimolybdate [Mo(VI)3O13]8-
Definition date:	2014-05-22
Last modified:	2025-11-11
Release date:	2014-08-13

NXC

NXC
Name:	(2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+)
Formula:	C23 H33 Cl N3 O5 P Pt
SMILES:	CCO[P](=O)(CCCc1cc2CN(C)(C)\|[Pt]3(Cl)\|N(C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-])=O
InChi:	InChI=1S/C23H33N3O5P.ClH.Pt/c1-6-30-32(29,31-23-11-9-22(10-12-23)26(27)28)13-7-8-19-14-20(17-24(2)3)16-21(15-19)18-25(4)5
Synonyms:	ethyl 4-nitrophenyl P-[3-(4-(chloroplatino)-1,3-bis > [(dimethylamino)methyl]-phenyl)propyl]phosphonate
Definition date:	2008-09-12
Last modified:	2025-11-11

PC4

PC4
Name:	TETRACHLOROPLATINATE(II)
Formula:	Cl4 Pt
SMILES:	Cl[Pt-2](Cl)(Cl)Cl
InChi:	InChI=1S/4ClH.Pt/h4*1H
Definition date:	2004-02-19
Last modified:	2025-11-11
Identifier:	tetrachloroplatinate(2-)

4NQ

4NQ
Name:	Dextromethorphan
Formula:	C18 H25 N O
SMILES:	COc1ccc2CC3C4CCCCC4(CCN3C)c2c1
InChi:	InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
Synonyms:	3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan
Definition date:	2015-04-21
Last modified:	2025-11-11
Release date:	2025-09-17
Identifier:	3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan

QPT

QPT
Name:	carboplatin
Formula:	C6 H12 N2 O4 Pt
SMILES:	N\|[Pt]1(\|N)OC(=O)C2(CCC2)C(=O)O1
InChi:	InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6
Definition date:	2011-09-28
Last modified:	2025-11-11
Identifier:	[7-azaniumyl-5,9-bis(oxidanylidene)-6,8-dioxa-7$l^{4}-platinaspiro[3.5]nonan-7-yl]azanium

VER

VER
Name:	IRON-OCTAETHYLPORPHYRIN
Formula:	C30 H27 Fe N4 O3
SMILES:	O=C(O)CCC1=C(C)C2=CC3=[N+]4C(=[O+]c5c(C=C)c(C)c6C=C7[N+]8=C(C=C1N2[Fe]84n65)C=C7C)C(C)=C3C=C
InChi:	InChI=1S/C30H28N4O3.Fe/c1-7-20-18(6)29-34-27(20)14-24-17(5)22(9-10-28(35)36)26(32-24)12-19-11-15(3)23(31-19)13-25-16(4)21(8-2)30(33-25)37-29
Synonyms:	VERDOHEME
Definition date:	2004-07-28
Last modified:	2025-11-10
Identifier:	(SP-4-2)-[(21R,23R)-10-(2-carboxyethyl)-5,20-diethenyl-4,9,15,19-tetramethyl-2-oxa-21,22,23,24-tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-2-ium-21,23-diido-kappa~4~N~21~,N~22~,N~23~,N~24~]iron(3+)

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