Basic information
- CAS
57-94-3- Standard SMILES
COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3[NH+](C)CC2)CC[N+]1(C)C.[Cl-].[Cl-]- InChIKey
GXFZCDMWGMFGFL-KKXMJGKMSA-N- Molecular formula
- C37H42Cl2N2O6
- Average molar mass
- 681.6 g/mol
- Monoisotopic mass
- 680.2419925
Overview
See also: Tubocurarine Chloride Anhydrous (preferred); Tubocurarine (has active moiety).
Names & identifiers
- Preferred name
- Tubadil
- IUPAC
- (1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol dichloride
Names & synonyms
TubadilDelacurarineTubocurarine hydrochlorideTubocurarine chloride [INN]AmelizolCurarin-hafIntocostrine TTubocurarine chloride (INN)d-Paracurarine chlorided-Tubocurarine dichlorideDextrotubocurarine chlorided-Tubocurarine hydrochloride
Show more names
Tubocurarina cloruro [DCIT]d-(+)-Tubocurarine chlorideTubocurarine chloride (anhydrous)Tubocurarini chloridum [INN-Latin]EINECS 200-356-9UNII-7BCM17J5YAChlorure de tubocurarine [INN-French]Cloruro de tubocurarina [INN-Spanish]
Database identifiers
- CAS
57-94-3- PubChem CID
- 64645
- ChEMBL
CHEMBL2063769
Properties
Computed structural properties
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 990
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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