10-Benzylamino-10-demethoxycolchicine
Basic information
- CAS
76129-15-2- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(NCc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2- InChIKey
PDIUZPBNLUNFFJ-QFIPXVFZSA-N- Molecular formula
- C28H30N2O5
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 474.21547206
Names & identifiers
- Preferred name
- 10-Benzylamino-10-demethoxycolchicine
- IUPAC
- N-[(7S)-10-(benzylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
- English name
- N-[(S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-9-oxo-10-benzylaminobenzo[a]heptalen-7-yl]acetamide
- Molecular formula
- C28H30N2O5
- Molecular weight
- 474.55
Names & synonyms
10-Benzylamino-10-demethoxycolchicineRefChem:105720876129-15-2Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-((phenylmethyl)amino)benzo(a)heptalen-7-yl)-, (S)-N-[(7S)-10-(benzylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamideMLS003115870NSC 309697BRN 3185612Colchicine, 10-(benzylamino)-10-demethoxy-NSC309697CHEMBL85812DTXSID00997481
Show more names
10-(Benzylamino)-10-demethoxycolchicineN-[(S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-9-oxo-10-benzylaminobenzo[a]heptalen-7-yl]acetamideN-[(S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-benzylamino-9-oxobenzo[a]heptalen-7-yl]acetamideAcetamide, N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-[(phenylmethyl)amino]benzo[a]heptalen-7-yl]-, (S)- (9CI)
STL546543AKOS030499560NSC-309697(S)-N-(10-(benzylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamideAcetamide,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-[(phenylmethyl)amino]benzo[a]heptalen-7-yl]-, (S)-N-[10-(Benzylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]ethanimidic acid
Database identifiers
- CAS
76129-15-2- PubChem CID
- 84072
- DTXSID
DTXSID00997481- ChEMBL
CHEMBL85812- Nikkaji
- J67.635G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 873
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