PROMESTRIENE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: G03CA09
UNII: GXM4PER6WZ

Structure
InChI Key IUWKNLFTJBHTSD-AANPDWTMSA-N
Smile CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@@H]12
InChI
InChI=1S/C22H32O2/c1-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23-3/h6,8,14,18-21H,4-5,7,9-13H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32O2
Molecular Weight 328.5
AlogP 5.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 18.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypospadias 3 D007021 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 39219-28-8
ChEBI 135402
ChEMBL CHEMBL2105394
DrugCentral 4023
FDA SRS GXM4PER6WZ
PubChem 9883915
SureChEMBL SCHEMBL5188890
ZINC ZINC000001999256
CONTENTS