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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31ClO5
Molecular Weight 434.953
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1α-(chloromethyl)-3,6,20-trioxopregn-4-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(=O)C4=CC(=O)C[C@H](CCl)[C@]34C

InChI

InChIKey=PLZRXEUJYCLWGJ-HAJWRMEISA-N
InChI=1S/C24H31ClO5/c1-13(26)24(30-14(2)27)8-6-18-17-11-21(29)20-10-16(28)9-15(12-25)23(20,4)19(17)5-7-22(18,24)3/h10,15,17-19H,5-9,11-12H2,1-4H3/t15-,17+,18+,19+,22+,23-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H31ClO5
Molecular Weight 434.953
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 Sat Dec 16 19:34:06 GMT 2023
Edited
by admin
on Sat Dec 16 19:34:06 GMT 2023
Record UNII
76PY7DHQ4V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1α-(chloromethyl)-3,6,20-trioxopregn-4-en-17-yl acetate
Systematic Name English
CYPROTERONE ACETATE IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
76PY7DHQ4V
Created by admin on Sat Dec 16 19:34:06 GMT 2023 , Edited by admin on Sat Dec 16 19:34:06 GMT 2023
PRIMARY
PUBCHEM
168429495
Created by admin on Sat Dec 16 19:34:06 GMT 2023 , Edited by admin on Sat Dec 16 19:34:06 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY