(20R)-21-(n-propylamino)-11beta,17, 20-trihydroxy-3,21-dioxo-1,4-pregnadiene

HCID 13633149
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Basic information

Standard SMILES
CCCNC(=O)[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChIKey
QCSKXRDWWIHQMW-YGIBYLRGSA-N
Molecular formula
C24H35NO5
Average molar mass
417.5 g/mol
Monoisotopic mass
417.25152322

Names & identifiers

Preferred name
(20R)-21-(n-propylamino)-11beta,17, 20-trihydroxy-3,21-dioxo-1,4-pregnadiene
IUPAC
(2R)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-N-propylacetamide

Names & synonyms

SCHEMBL9487778CHEMBL2115141QCSKXRDWWIHQMW-YGIBYLRGSA-N(20R)-21-(n-propylamino)-11beta,17, 20-trihydroxy-3,21-dioxo-1,4-pregnadiene(20R)-21-(n-propylamino)-11beta,17,20-trihydroxy-3,21-dioxo-1,4-pregnadiene

Database identifiers

PubChem CID
13633149
ChEMBL
CHEMBL2115141
Nikkaji
J490.244K

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
107 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
30

Related reactions

1 records
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Compound notes

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