Basic information
- CAS
107534-94-1- Standard SMILES
CC12CCC(=O)NC1=CCC1C2CCC2(C)C(OC(=O)CCCc3ccc(N(CCCl)CCCl)cc3)CCC12- InChIKey
ZWUCNQLCSQYDDQ-UHFFFAOYSA-N- Molecular formula
- C32H44Cl2N2O3
- Average molar mass
- 575.6 g/mol
- Monoisotopic mass
- 574.2728987
Overview
structure given in first source
Names & identifiers
- Preferred name
- 17-Hydroxy-4-aza-A-nor-5-androsten-3-one (4-N,N-bis(2-chloroethylamino)phenyl)butyrate
- IUPAC
- (9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl) 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Names & synonyms
17-Hydroxy-4-aza-A-nor-5-androsten-3-one (4-N,N-bis(2-chloroethylamino)phenyl)butyrateRefChem:79193107534-94-1(9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl) 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoateCCRIS 152317-beta-Hydroxy-4-aza-a-nor-5-androsten-3-one-N,N-bis-(2-chloroethyl)aminophenylbutyrate1H-Indeno(5,4-f)quinoline, 4-azaandrost-5-en-3-one deriv.17-beta-Hydroxy-4-aza-A-nor-5-androsten-3-one p-N,N-bis(2-chloroethyl)aminophenylbutyrateDTXSID809103504-Azaandrost-5-en-3-one, 17-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-, (17-beta)-17-BETA-HYDROXY-4-AZA-A-NOR-5-ANDROSTEN-3-ONE P-N,N-BIS-(2-CHLOROETHYL)AMINOPHENYLBUTYRATE2-Hydroxy-4a,6a-dimethyl-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-3H-indeno[5,4-f]quinolin-7-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
Database identifiers
- CAS
107534-94-1- PubChem CID
- 60192
- DTXSID
DTXSID80910350
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 913
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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