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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26O2
Molecular Weight 310.4307
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYL-ETHINYLESTRADIOL

SMILES

C#C[C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(cc(C)c4[C@@]3([H])CC[C@@]21C)O)O

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 310.4307
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 Jun 26 14:07:41 UTC 2021
Edited
by admin
on Sat Jun 26 14:07:41 UTC 2021
Record UNII
612S4CVM86
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YNE-3,17-DIOL, 1-METHYL-
Common Name English
NSC-29746
Code English
ETHINYLESTRADIOL IMPURITY J [EP]
Common Name English
ESTRADIOL, 17-ETHYNYL-1-METHYL-
Common Name English
Code System Code Type Description
FDA UNII
612S4CVM86
Created by admin on Sat Jun 26 14:07:41 UTC 2021 , Edited by admin on Sat Jun 26 14:07:41 UTC 2021
PRIMARY
CAS
15071-66-6
Created by admin on Sat Jun 26 14:07:41 UTC 2021 , Edited by admin on Sat Jun 26 14:07:41 UTC 2021
PRIMARY
EPA CompTox
15071-66-6
Created by admin on Sat Jun 26 14:07:41 UTC 2021 , Edited by admin on Sat Jun 26 14:07:41 UTC 2021
PRIMARY
PUBCHEM
232402
Created by admin on Sat Jun 26 14:07:41 UTC 2021 , Edited by admin on Sat Jun 26 14:07:41 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP