Basic information
- CAS
76129-12-9- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(SCc3ccccc3)c(=O)cc1C(NC(C)=O)CC2- InChIKey
GBYSTLGOMHZCPZ-UHFFFAOYSA-N- Molecular formula
- C28H29NO5S
- Average molar mass
- 491.6 g/mol
- Monoisotopic mass
- 491.1766442
Names & identifiers
- Preferred name
- 10-Benzylthio-10-demethoxy-colchicine
- IUPAC
- N-(10-benzylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Names & synonyms
NSC 186305BRN 3185560Colchicine, 10-(benzylthio)-10-demethoxy-10-Benzylthio-10-demethoxy-colchicine4-14-00-00958 (Beilstein Handbook Reference)Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-((phenylmethyl)thio)benzo(a)heptalen-7-yl)-, (S)-76129-12-9RefChem:235673
Database identifiers
- CAS
76129-12-9- PubChem CID
- 99713
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 875
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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