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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26O2
Molecular Weight 310.4299
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYL-ETHINYLESTRADIOL

SMILES

CC1=C2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCC2=CC(O)=C1

InChI

InChIKey=DNVMUVXCXXCYEH-JOTVOLILSA-N
InChI=1S/C21H26O2/c1-4-21(23)10-8-18-16-6-5-14-12-15(22)11-13(2)19(14)17(16)7-9-20(18,21)3/h1,11-12,16-18,22-23H,5-10H2,2-3H3/t16-,17+,18+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H26O2
Molecular Weight 310.4299
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 Mon Mar 31 21:25:17 GMT 2025
Edited
by admin
on Mon Mar 31 21:25:17 GMT 2025
Record UNII
612S4CVM86
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-29746
Preferred Name English
1-METHYL-ETHINYLESTRADIOL
Common Name English
1-METHYL-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YNE-3,17-DIOL
Common Name English
1-METHYL-ETHINYL ESTRADIOL
Common Name English
ETHINYLESTRADIOL IMPURITY J [EP IMPURITY]
Common Name English
19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YNE-3,17-DIOL, 1-METHYL-
Common Name English
ESTRADIOL, 17-ETHYNYL-1-METHYL-
Common Name English
Code System Code Type Description
FDA UNII
612S4CVM86
Created by admin on Mon Mar 31 21:25:17 GMT 2025 , Edited by admin on Mon Mar 31 21:25:17 GMT 2025
PRIMARY
CAS
15071-66-6
Created by admin on Mon Mar 31 21:25:17 GMT 2025 , Edited by admin on Mon Mar 31 21:25:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID20164597
Created by admin on Mon Mar 31 21:25:17 GMT 2025 , Edited by admin on Mon Mar 31 21:25:17 GMT 2025
PRIMARY
PUBCHEM
232402
Created by admin on Mon Mar 31 21:25:17 GMT 2025 , Edited by admin on Mon Mar 31 21:25:17 GMT 2025
PRIMARY
NSC
29746
Created by admin on Mon Mar 31 21:25:17 GMT 2025 , Edited by admin on Mon Mar 31 21:25:17 GMT 2025
PRIMARY
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