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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24O2
Molecular Weight 272.382
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALFATRADIOL

SMILES

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

InChI

InChIKey=VOXZDWNPVJITMN-SFFUCWETSA-N
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H24O2
Molecular Weight 272.382
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 Dec 16 15:51:16 UTC 2023
Edited
by admin
on Sat Dec 16 15:51:16 UTC 2023
Record UNII
3VQ38D63M7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALFATRADIOL
INN   MART.  
INN  
Official Name English
ESTRA-1,3,5(10)-TRIENE-3,17.ALPHA.-DIOL
Systematic Name English
ESTRADIOL, .ALPHA.-
Common Name English
ALFATRADIOL [MART.]
Common Name English
17ALPHA-ESTRADIOL
Common Name English
ESTRADIOL, ALPHA-
Common Name English
.ALPHA.-ESTRADIOL [MI]
Common Name English
ETHINYLESTRADIOL IMPURITY L [EP IMPURITY]
Common Name English
17.ALPHA.-ESTRADIOL
Common Name English
17a-estradiol [WHO-DD]
Common Name English
alfatradiol [INN]
Common Name English
ESTRADIOL HEMIHYDRATE IMPURITY B [EP IMPURITY]
Common Name English
ESTRADIOL 17-.ALPHA.
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1740
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL286452
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
SMS_ID
100000092026
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
NCI_THESAURUS
C81622
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
RXCUI
1926478
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
FDA UNII
3VQ38D63M7
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
INN
8057
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
MESH
C519808
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
PUBCHEM
68570
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID8022377
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
CHEBI
17160
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
DAILYMED
3VQ38D63M7
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
EVMPD
SUB12672MIG
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
WIKIPEDIA
ALFATRADIOL
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
CAS
57-91-0
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
MERCK INDEX
m5029
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
200-354-8
Created by admin on Sat Dec 16 15:51:16 UTC 2023 , Edited by admin on Sat Dec 16 15:51:16 UTC 2023
PRIMARY
Related Record Type Details
TARGET->STIMULATOR
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
ACTIVE MOIETY