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4NQ

Summary
Name:Dextromethorphan
Synonyms:3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan
Formula:C18 H25 N O
Formal charge:0
Formula weight:271.397 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan
OpenEye OEToolkits3.1.0.0(1~{S},9~{S},10~{S})-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52COc1ccc2CC3C4CCCCC4(CCN3C)c2c1
InChIInChI1.06InChI=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
InChIKeyInChI1.06MKXZASYAUGDDCJ-NJAFHUGGSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1
SMILESCACTVS3.385COc1ccc2C[CH]3[CH]4CCCC[C]4(CCN3C)c2c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4c3cc(cc4)OC
SMILESOpenEye OEToolkits3.1.0.0CN1CCC23CCCCC2C1Cc4c3cc(cc4)OC

250359

PDB entries from 2026-03-11

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