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Basic information
- Standard SMILES
COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2- InChIKey
ZQLDXCSTJFLRPY-RWBXLJKRSA-N- Molecular formula
- C53H69ClN2O14+2
- Average molar mass
- 993.588 g/mol
- Monoisotopic mass
- 992.44263541
Names & identifiers
- Preferred name
- Gantacurium
- IUPAC
- (1R,2S)-2-(3-{[(2Z)-2-Chloro-4-{3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-2-ium-2(1H)-yl]propoxy}-4-oxobut-2-enoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
Database identifiers
- CAS
758669-50-0- PubChem CID
- 10102486
- DTXSID
DTXSID90226772- ChEMBL
CHEMBL1182997- UNII
- N9VK9ZO25E
- Nikkaji
- J1.345.757C、J2.460.188I
Related reactions
1 records
Linked notes
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