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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22O2
Molecular Weight 294.3882
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9,11-DEHYDRO ETHYNYL ESTRADIOL

SMILES

C#C[C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(ccc4C3=CC[C@@]21C)O)O

InChI

InChIKey=DUZHXWCAIBMQPI-FYQPLNBISA-N
InChI=1S/C20H22O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7-8,12,17-18,21-22H,4,6,9-11H2,2H3/t17-,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H22O2
Molecular Weight 294.3882
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:54:39 UTC 2021
Edited
by admin
on Sat Jun 26 13:54:39 UTC 2021
Record UNII
1521KR33D3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9,11-DEHYDRO ETHYNYL ESTRADIOL
Common Name English
19-NORPREGNA-1,3,5(10),9(11)-TETRAEN-20-YNE-3,17-DIOL, (17.ALPHA.)-
Common Name English
ETHINYL ESTRADIOL RELATED COMPOUND B
USP-RS  
Common Name English
ETHINYLESTRADIOL IMPURITY B [EP]
Common Name English
ETHINYL ESTRADIOL RELATED COMPOUND B [USP-RS]
Common Name English
19-NOR-17.ALPHA.-PREGNA-1,3,5(10),9(11)-TETRAEN-20-YNE-3,17-DIOL
Common Name English
ETHINYLESTRADIOL SPECIFIED IMPURITY B [EP]
Common Name English
.DELTA.9,11- ETHINYL ESTRADIOL
Common Name English
9,11-DEHYDRO ETHYNYLESTRADIOL
Common Name English
Code System Code Type Description
FDA UNII
1521KR33D3
Created by admin on Sat Jun 26 13:54:40 UTC 2021 , Edited by admin on Sat Jun 26 13:54:40 UTC 2021
PRIMARY
PUBCHEM
11150565
Created by admin on Sat Jun 26 13:54:40 UTC 2021 , Edited by admin on Sat Jun 26 13:54:40 UTC 2021
PRIMARY
CAS
1231-96-5
Created by admin on Sat Jun 26 13:54:40 UTC 2021 , Edited by admin on Sat Jun 26 13:54:40 UTC 2021
PRIMARY
USP_CATALOG
1260023
Created by admin on Sat Jun 26 13:54:40 UTC 2021 , Edited by admin on Sat Jun 26 13:54:40 UTC 2021
PRIMARY USP-RS
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 0.7
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP