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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28N2O
Molecular Weight 336.4705
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1'H-PREGN-4-EN-20-YNO(3,2-C)PYRAZOL-17-OL, (17.ALPHA.)-

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC5=NNC=C5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C

InChI

InChIKey=OCUCUBCZNQZRNK-LHZXLZLDSA-N
InChI=1S/C22H28N2O/c1-4-22(25)10-8-18-16-6-5-15-11-19-14(13-23-24-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,25H,5-10,12H2,2-3H3,(H,23,24)/t16-,17+,18+,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H28N2O
Molecular Weight 336.4705
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:57:12 GMT 2025
Edited
by admin
on Mon Mar 31 17:57:12 GMT 2025
Record UNII
ZE6Z08Y963
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOPENTA(7,8)PHENANTHRO(2,3-C)PYRAZOL-1-OL, 1-ETHYNYL-1,2,3,3A,3B,4,5,8,10,10A,10B,11,12,12A-TETRADECAHYDRO-10A,12A-DIMETHYL-
Preferred Name English
1'H-PREGN-4-EN-20-YNO(3,2-C)PYRAZOL-17-OL, (17.ALPHA.)-
Common Name English
Code System Code Type Description
PUBCHEM
133082652
Created by admin on Mon Mar 31 17:57:12 GMT 2025 , Edited by admin on Mon Mar 31 17:57:12 GMT 2025
PRIMARY
FDA UNII
ZE6Z08Y963
Created by admin on Mon Mar 31 17:57:12 GMT 2025 , Edited by admin on Mon Mar 31 17:57:12 GMT 2025
PRIMARY
CAS
13593-58-3
Created by admin on Mon Mar 31 17:57:12 GMT 2025 , Edited by admin on Mon Mar 31 17:57:12 GMT 2025
ALTERNATIVE
CAS
100088-84-4
Created by admin on Mon Mar 31 17:57:12 GMT 2025 , Edited by admin on Mon Mar 31 17:57:12 GMT 2025
PRIMARY