17-[1-[2-(Dimethylamino)ethylamino]ethyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

HCID 268993

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Basic information

CAS: 72-37-7
Standard SMILES: CC(NCCN(C)C)C1CCC2C3CCc4cc(O)ccc4C3CCC12C
InChIKey: OQLPSYJNZRYLOQ-UHFFFAOYSA-N
Molecular formula: C24H38N2O
Average molar mass: 370.6 g/mol
Monoisotopic mass: 370.29841384

Names & identifiers

Preferred name: 17-[1-[2-(Dimethylamino)ethylamino]ethyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
IUPAC: 17-[1-[2-(dimethylamino)ethylamino]ethyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

Names & synonyms

NSC109509MLS00270196072-37-7NSC-109509CHEMBL1713367DTXSID10992684NCI60_000230SMR00156554117-(1-((2-(dimethylamino)ethyl)amino)ethyl)estra-1,3,5(10)-trien-3-ol20-{[2-(Dimethylamino)ethyl]amino}-19-norpregna-1(10),2,4-trien-3-ol

Database identifiers

CAS: 72-37-7
PubChem CID: 268993
DTXSID: DTXSID10992684
ChEMBL: CHEMBL1713367

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 509

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