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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C18H24O2.H2O
Molecular Weight 562.7792
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL HEMIHYDRATE

SMILES

O.[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(O)C=C4.[H][C@@]56CC[C@H](O)[C@@]5(C)CC[C@]7([H])C8=C(CC[C@@]67[H])C=C(O)C=C8

InChI

InChIKey=ZVVGLAMWAQMPDR-WVEWYJOQSA-N
InChI=1S/2C18H24O2.H2O/c2*1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;/h2*3,5,10,14-17,19-20H,2,4,6-9H2,1H3;1H2/t2*14-,15-,16+,17+,18+;/m11./s1

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
ESTRADIOL HEMIHYDRATE
EP   MI   ORANGE BOOK   WHO-DD  
Common Name English
Estradiol hemihydrate [WHO-DD]
Common Name English
ESTRADIOL HEMIHYDRATE [MI]
Common Name English
ESTRASORB
Brand Name English
MYFEMBREE COMPONENT ESTRADIOL HEMIHYDRATE
Brand Name English
ESTRADIOL HEMIHYDRATE [ORANGE BOOK]
Common Name English
ESTRADIOL HEMIHYDRATE [EP MONOGRAPH]
Common Name English
ESTRADIOL HEMIHYDRATE COMPONENT OF MYFEMBREE
Brand Name English
(17.BETA.)-ESTRA-1,3,5(10)-TRIENE-3,17-DIOL HEMIHYDRATE
Common Name English
Classification Tree Code System Code
EMA ASSESSMENT REPORTS ZOELY (AUTHORIZED: CONTRACEPTION)
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
EU-Orphan Drug EU/3/05/275
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
NCI_THESAURUS C478
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
Code System Code Type Description
DRUG BANK
DBSALT001383
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
PRIMARY
RXCUI
236859
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
PRIMARY RxNorm
SMS_ID
100000089218
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
PRIMARY
PUBCHEM
154274
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID60858948
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
PRIMARY
FDA UNII
CXY7B3Q98Z
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
PRIMARY
WIKIPEDIA
Estradiol hemihydrate
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
PRIMARY
ChEMBL
CHEMBL135
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
PRIMARY
NCI_THESAURUS
C47992
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
PRIMARY
MERCK INDEX
m5028
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
PRIMARY Merck Index
DAILYMED
CXY7B3Q98Z
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
PRIMARY
EVMPD
SUB11941MIG
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
PRIMARY
CAS
35380-71-3
Created by admin on Fri Dec 15 15:57:13 UTC 2023 , Edited by admin on Fri Dec 15 15:57:13 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of ESTRADIOL
NIH
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