English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

U1C

Summary

Name:	Dantrolene
Synonyms:	1-[(Z)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]imidazolidine-2,4-dione
Formula:	C14 H10 N4 O5
Formal charge:	0
Formula weight:	314.253 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[(Z)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]imidazolidine-2,4-dione
OpenEye OEToolkits	2.0.7	1-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-][N+](=O)c1ccc(cc1)c1ccc(\C=N/N2CC(=O)NC2=O)o1
InChI	InChI	1.06	InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7-
InChIKey	InChI	1.06	OZOMQRBLCMDCEG-CHHVJCJISA-N
SMILES_CANONICAL	CACTVS	3.385	[O-][N+](=O)c1ccc(cc1)c2oc(cc2)\C=N/N3CC(=O)NC3=O
SMILES	CACTVS	3.385	[O-][N+](=O)c1ccc(cc1)c2oc(cc2)C=NN3CC(=O)NC3=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2ccc(o2)C=NN3CC(=O)NC3=O)[N+](=O)[O-]
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2ccc(o2)C=NN3CC(=O)NC3=O)[N+](=O)[O-]

250835

PDB entries from 2026-03-18

PDB statistics

PDBj update info

Contact PDBj

numon