Hydrotopotecan
Basic information
- CAS
132877-29-3- Standard SMILES
CC[C@@](O)(C(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3c(CN(C)C)c(O)ccc3nc1-2- InChIKey
DPQJTQJZJNYUEC-QHCPKHFHSA-N- Molecular formula
- C23H25N3O6
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.17433553
Names & identifiers
- Preferred name
- Hydrotopotecan
- IUPAC
- (2S)-2-[1-[(dimethylamino)methyl]-2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
Names & synonyms
HydrotopotecanTopotecancarboxylic acidV2Q5PG98DRSKF 105992DTXSID20157828INDOLIZINO(1,2-B)QUINOLINE-7-ACETIC ACID, 1-((DIMETHYLAMINO)METHYL)-.ALPHA.-ETHYL-9,11-DIHYDRO-.ALPHA.,2-DIHYDROXY-8-(HYDROXYMETHYL)-9-OXO-, (.ALPHA.S)-RefChem:201185DTXCID6080319INDOLIZINO(1,2-B)QUINOLINE-7-ACETIC ACID, 1-((DIMETHYLAMINO)METHYL)-ALPHA-ETHYL-9,11-DIHYDRO-ALPHA,2-DIHYDROXY-8-(HYDROXYMETHYL)-9-OXO-, (ALPHAS)-132877-29-32-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID(2S)-2-[1-[(dimethylamino)methyl]-2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
Show more names
(2S)-2-{1-[(dimethylamino)methyl]-2-hydroxy-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl}-2-hydroxybutanoic acidTTGUNII-V2Q5PG98DRSCHEMBL9971289Q27466745
Database identifiers
- CAS
132877-29-3- PubChem CID
- 183113
- DTXSID
DTXSID20157828- UNII
- V2Q5PG98DR
- Nikkaji
- J2.256.758F、J364.124D
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 855
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Related reactions
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Compound notes
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