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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28O2
Molecular Weight 324.4565
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 13-ETHYL-3-METHOXY-18,19-DINOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-17-OL

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]3([H])C4=CC=C(OC)C=C4CC[C@@]23[H]

InChI

InChIKey=NXKYEZGQCNWQRT-AANPDWTMSA-N
InChI=1S/C22H28O2/c1-4-21-12-10-18-17-9-7-16(24-3)14-15(17)6-8-19(18)20(21)11-13-22(21,23)5-2/h2,7,9,14,18-20,23H,4,6,8,10-13H2,1,3H3/t18-,19-,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H28O2
Molecular Weight 324.4565
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:37:59 UTC 2023
Edited
by admin
on Sat Dec 16 10:37:59 UTC 2023
Record UNII
ZCF0F7MT4V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
13-ETHYL-3-METHOXY-18,19-DINOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-17-OL
Systematic Name English
18-METHYLMESTRANOL
Common Name English
18,19-DINORPREGNA-1,3,5(10)-TRIEN-20-YN-17-OL, 13-ETHYL-3-METHOXY-, (17.ALPHA.)-
Systematic Name English
LEVONORGESTREL IMPURITY V [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
22790399
Created by admin on Sat Dec 16 10:37:59 UTC 2023 , Edited by admin on Sat Dec 16 10:37:59 UTC 2023
PRIMARY
CAS
14009-70-2
Created by admin on Sat Dec 16 10:37:59 UTC 2023 , Edited by admin on Sat Dec 16 10:37:59 UTC 2023
PRIMARY
FDA UNII
ZCF0F7MT4V
Created by admin on Sat Dec 16 10:37:59 UTC 2023 , Edited by admin on Sat Dec 16 10:37:59 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP