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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 MESTRANOL

SMILES

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

InChI

InChIKey=IMSSROKUHAOUJS-MJCUULBUSA-N
InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 14:58:16 UTC 2023
Edited
by admin
on Fri Dec 15 14:58:16 UTC 2023
Record UNII
B2V233XGE7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MESTRANOL
EP   HSDB   INN   MART.   MI   ORANGE BOOK   USAN   USP   USP-RS   VANDF   WHO-DD  
INN   USAN  
Official Name English
NSC-84032
Code English
MESTRANOL [EP MONOGRAPH]
Common Name English
EE3-ME
Code English
MESTRANOL [HSDB]
Common Name English
MESTRANOL [VANDF]
Common Name English
OVULEN COMPONENT MESTRANOL
Common Name English
MESTRANOL [JAN]
Common Name English
MESTRANOL COMPONENT OF ENOVID
Common Name English
MESTRANOL [ORANGE BOOK]
Common Name English
EE-3ME
Code English
EE3ME
Code English
MESTRANOL [MI]
Common Name English
33355
Code English
MESTRANOL [USP-RS]
Common Name English
MESTRANOL [USP MONOGRAPH]
Common Name English
MESTRANOL [MART.]
Common Name English
EEI3ME
Code English
Mestranol [WHO-DD]
Common Name English
mestranol [INN]
Common Name English
3-METHOXY-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-17-OL.
Common Name English
19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-17-OL, 3-METHOXY-, (17.ALPHA.)-
Common Name English
MESTRANOL COMPONENT OF OVULEN
Common Name English
ENOVID COMPONENT MESTRANOL
Common Name English
MESTRANOL [USAN]
Common Name English
Classification Tree Code System Code
NDF-RT N0000000100
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
NCI_THESAURUS C478
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
NDF-RT N0000175825
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
EPA PESTICIDE CODE 115401
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
LIVERTOX 607
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
Code System Code Type Description
CAS
72-33-3
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
WIKIPEDIA
MESTRANOL
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
RS_ITEM_NUM
1394008
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
HSDB
3588
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
CHEBI
6784
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
FDA UNII
B2V233XGE7
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
SMS_ID
100000081168
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
IUPHAR
7087
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID0020814
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
RXCUI
6782
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY RxNorm
DRUG CENTRAL
1714
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
EVMPD
SUB08791MIG
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
INN
1139
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
NSC
84032
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
NCI_THESAURUS
C636
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
PUBCHEM
6291
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
DRUG BANK
DB01357
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
MESH
D008656
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
MERCK INDEX
m7257
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL1201151
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-777-8
Created by admin on Fri Dec 15 14:58:16 UTC 2023 , Edited by admin on Fri Dec 15 14:58:16 UTC 2023
PRIMARY
Related Record Type Details
ESTROGEN RECEPTOR
TARGET -> AGONIST
Related Record Type Details
Structure of ETHINYL ESTRADIOL
METABOLITE ACTIVE -> PRODRUG
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