PREGNENOLONE SUCCINATE

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Synonyms
Status
Molecule Category Free-form
UNII 6LN4W6JJK6
EPA CompTox DTXSID40196673

Structure

InChI Key OZZAYJQNMKMUSD-DMISRAGPSA-N
Smiles CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C25H36O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h4,17-21H,5-14H2,1-3H3,(H,27,28)/t17-,18-,19+,20-,21-,24-,25+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H36O5
Molecular Weight 416.56
AlogP 4.93
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 80.67
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 30.0

Related Entries

Cross References

Resources Reference
ChEBI 135355
ChEMBL CHEMBL2105373
DrugCentral 2256
FDA SRS 6LN4W6JJK6
PubChem 10070529
SureChEMBL SCHEMBL667221
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