Basic information
- Standard SMILES
CC[C@]12CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@@H](C3)[C@H]1O2.O=S(=O)(O)O- InChIKey
OREMAKNOJRHDJT-XPPVMYAQSA-N- Molecular formula
- C46H58N4O13S
- Average molar mass
- 907 g/mol
Names & identifiers
- Preferred name
- Leurosine sulfate
- IUPAC
- methyl (13S,15S,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid
Names & synonyms
VINLEUROSINE SULFATELEUROSINE SULFATE54081-68-4orb1690473SCHEMBL29353221OREMAKNOJRHDJT-XPPVMYAQSA-NAKOS040758186T40620
Database identifiers
- PubChem CID
- 259897
- ChEMBL
CHEMBL5483014
Properties
Computed structural properties
- Topological polar surface area
- 229 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,830
Related reactions
1 records
Compound notes
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