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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34O4
Molecular Weight 398.5351
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2.ALPHA.,6-DIMETHYL-3,20-DIOXOPREGNA-4,6-DIEN-17-YL ACETATE

SMILES

C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=CC1=O

InChI

InChIKey=AQMUMBCTNJGBGC-YXWFNBJOSA-N
InChI=1S/C25H34O4/c1-14-11-18-19(23(5)13-15(2)22(28)12-21(14)23)7-9-24(6)20(18)8-10-25(24,16(3)26)29-17(4)27/h11-12,15,18-20H,7-10,13H2,1-6H3/t15-,18-,19+,20+,23-,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H34O4
Molecular Weight 398.5351
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:17:44 GMT 2025
Edited
by admin
on Mon Mar 31 23:17:44 GMT 2025
Record UNII
911S0BD9BB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MEGESTROL ACETATE IMPURITY H [EP IMPURITY]
Preferred Name English
2.ALPHA.,6-DIMETHYL-3,20-DIOXOPREGNA-4,6-DIEN-17-YL ACETATE
Systematic Name English
PREGNA-4,6-DIENE-3,20-DIONE, 17-(ACETYLOXY)-2,6-DIMETHYL-, (2.ALPHA.)-
Systematic Name English
2.ALPHA.,6-DIMETHYL-3,20-DIOXOPREGNA-4,6-DIEN-17-YL ACETATE, (+)-
Systematic Name English
MEGESTROL ACETATE RELATED COMPOUND H [USP-RS]
Common Name English
Code System Code Type Description
CAS
907193-65-1
Created by admin on Mon Mar 31 23:17:44 GMT 2025 , Edited by admin on Mon Mar 31 23:17:44 GMT 2025
PRIMARY
RS_ITEM_NUM
1379172
Created by admin on Mon Mar 31 23:17:44 GMT 2025 , Edited by admin on Mon Mar 31 23:17:44 GMT 2025
PRIMARY
PUBCHEM
29983908
Created by admin on Mon Mar 31 23:17:44 GMT 2025 , Edited by admin on Mon Mar 31 23:17:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID40238244
Created by admin on Mon Mar 31 23:17:44 GMT 2025 , Edited by admin on Mon Mar 31 23:17:44 GMT 2025
PRIMARY
FDA UNII
911S0BD9BB
Created by admin on Mon Mar 31 23:17:44 GMT 2025 , Edited by admin on Mon Mar 31 23:17:44 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY