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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO2
Molecular Weight 295.3755
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRONE CYANATE

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(OC#N)=CC=C34)[C@@H]1CCC2=O

InChI

InChIKey=OIOQBNDENVAFEU-VXNCWWDNSA-N
InChI=1S/C19H21NO2/c1-19-9-8-15-14-5-3-13(22-11-20)10-12(14)2-4-16(15)17(19)6-7-18(19)21/h3,5,10,15-17H,2,4,6-9H2,1H3/t15-,16-,17+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H21NO2
Molecular Weight 295.3755
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:59:02 GMT 2025
Edited
by admin
on Wed Apr 02 09:59:02 GMT 2025
Record UNII
YV53AV45DS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Estra-1,3,5(10)-trien-17-one, 3-cyanato-
Preferred Name English
ESTRONE CYANATE
Common Name English
d-Estrone 3-cyanate
Common Name English
(3aS,3bR,9bS,11aS)-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl cyanate
Systematic Name English
Code System Code Type Description
CAS
23623-36-1
Created by admin on Wed Apr 02 09:59:02 GMT 2025 , Edited by admin on Wed Apr 02 09:59:02 GMT 2025
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FDA UNII
YV53AV45DS
Created by admin on Wed Apr 02 09:59:02 GMT 2025 , Edited by admin on Wed Apr 02 09:59:02 GMT 2025
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WIKIPEDIA
Estrone cyanate
Created by admin on Wed Apr 02 09:59:02 GMT 2025 , Edited by admin on Wed Apr 02 09:59:02 GMT 2025
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EPA CompTox
DTXSID801046841
Created by admin on Wed Apr 02 09:59:02 GMT 2025 , Edited by admin on Wed Apr 02 09:59:02 GMT 2025
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PUBCHEM
53326333
Created by admin on Wed Apr 02 09:59:02 GMT 2025 , Edited by admin on Wed Apr 02 09:59:02 GMT 2025
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