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Details

Stereochemistry MIXED
Molecular Formula C48H64O8
Molecular Weight 769.017
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MEGESTROL ACETATE DIMER

SMILES

[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC(CC4C[C@@]5(C)C(=CC4=O)C(C)=C[C@@]6([H])[C@]7([H])CC[C@](OC(C)=O)(C(C)=O)[C@@]7(C)CC[C@]56[H])C8=CC(=O)CC[C@]38C

InChI

InChIKey=WYOYDKFQWHHJOJ-AEQXPCDISA-N
InChI=1S/C48H64O8/c1-26-20-34-37(12-17-45(8)38(34)13-18-47(45,27(2)49)55-29(4)51)44(7)25-32(42(54)24-40(26)44)21-31-22-35-36(43(6)15-10-33(53)23-41(31)43)11-16-46(9)39(35)14-19-48(46,28(3)50)56-30(5)52/h20,23-24,31-32,34-39H,10-19,21-22,25H2,1-9H3/t31?,32?,34-,35-,36+,37+,38+,39+,43-,44-,45+,46+,47+,48+/m1/s1

HIDE SMILES / InChI

Molecular Formula C48H64O8
Molecular Weight 769.017
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 12 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:54:46 GMT 2023
Edited
by admin
on Sat Dec 16 10:54:46 GMT 2023
Record UNII
VB2N6V7025
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MEGESTROL ACETATE DIMER
Common Name English
MEGESTROL ACETATE IMPURITY L [EP IMPURITY]
Common Name English
2.XI.-((17-(ACETYLOXY)-3,20-DIOXOPREGN-4-EN-6.XI.-YL)METHYL)-6-METHYL-3,20-DIOXOPREGNA-4,6-DIEN-17-YL ACETATE
Common Name English
Code System Code Type Description
FDA UNII
VB2N6V7025
Created by admin on Sat Dec 16 10:54:46 GMT 2023 , Edited by admin on Sat Dec 16 10:54:46 GMT 2023
PRIMARY
PUBCHEM
135391020
Created by admin on Sat Dec 16 10:54:46 GMT 2023 , Edited by admin on Sat Dec 16 10:54:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 0.6
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP