U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H34O4
Molecular Weight 386.5244
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-METHYL-3,20-DIOXOPREGN-5-EN-17-YL ACETATE

SMILES

[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC(C)=C4CC(=O)CC[C@]34C

InChI

InChIKey=WYYCRMBIYYRAEW-GQFGMJRRSA-N
InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h18-20H,6-13H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H34O4
Molecular Weight 386.5244
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:31:26 GMT 2023
Edited
by admin
on Sat Dec 16 10:31:26 GMT 2023
Record UNII
N7CTF07J48
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-METHYL-3,20-DIOXOPREGN-5-EN-17-YL ACETATE
Systematic Name English
PREGN-5-ENE-3,20-DIONE, 17-HYDROXY-6-METHYL-, ACETATE
Systematic Name English
MEGESTROL ACETATE IMPURITY J [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
N7CTF07J48
Created by admin on Sat Dec 16 10:31:27 GMT 2023 , Edited by admin on Sat Dec 16 10:31:27 GMT 2023
PRIMARY
PUBCHEM
54457062
Created by admin on Sat Dec 16 10:31:27 GMT 2023 , Edited by admin on Sat Dec 16 10:31:27 GMT 2023
PRIMARY
CAS
14994-27-5
Created by admin on Sat Dec 16 10:31:27 GMT 2023 , Edited by admin on Sat Dec 16 10:31:27 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
at 210 nm
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP