Basic information
- CAS
83348-52-1- Standard SMILES
COc1cc(CC2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.[Cl-].[Cl-]- InChIKey
APADFLLAXHIMFU-UHFFFAOYSA-L- Molecular formula
- C56H78Cl2N2O16
- Average molar mass
- 1,106.1 g/mol
- Monoisotopic mass
- 1,104.4728398
Names & identifiers
- Preferred name
- Doxacurium chloride [VANDF]
- IUPAC
- bis[3-[6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] butanedioate dichloride
Names & synonyms
UNII-M78TVM3G5ZDoxacurium (chloride)Doxacurium chloride [MI]Doxacurium chloride [INN]Doxacurium chloride [USAN]Doxacurium chloride [VANDF]Doxacurium chloride [MART.]Doxacurium chloride [WHO-DD]Doxacurium chloride [ORANGE BOOK]Doxacurium chloride [USAN:INN:WHO-DD]Doxacurium Chloride (Mixture of Diastereomers)bis[3-[6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] butanedioate;dichloride
Show more names
Nuromax (TN)SCHEMBL1649198CHEMBL1237099Doxacurium chloride (USAN/INN)HY-A0215Doxacurium Chloride - API StandardsEBC-27526CS-0017562
Database identifiers
- CAS
83348-52-1- PubChem CID
- 60168
- ChEMBL
CHEMBL1237099
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 29
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 1,540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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