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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29NO2
Molecular Weight 339.4712
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((3-METHOXYESTRA-1,3,5(10)-TRIEN-17-.BETA.-YL)OXY)-PROPANENITRILE

SMILES

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

InChI

InChIKey=SKZOMAZQGJCCKH-AANPDWTMSA-N
InChI=1S/C22H29NO2/c1-22-11-10-18-17-7-5-16(24-2)14-15(17)4-6-19(18)20(22)8-9-21(22)25-13-3-12-23/h5,7,14,18-21H,3-4,6,8-11,13H2,1-2H3/t18-,19-,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H29NO2
Molecular Weight 339.4712
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 12:02:07 GMT 2023
Edited
by admin
on Sat Dec 16 12:02:07 GMT 2023
Record UNII
1K4K9BIH91
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((3-METHOXYESTRA-1,3,5(10)-TRIEN-17-.BETA.-YL)OXY)-PROPANENITRILE
Common Name English
ESTRA-1,3,5(10)-TRIENE, 17.BETA.-(2-CYANOETHOXY)-3-METHOXY-
Systematic Name English
PROPIONITRILE, 3-((3-METHOXYESTRA-1,3,5(10)-TRIEN-17-BETA-YL)OXY)-
Common Name English
PROPANENITRILE, 3-(((17.BETA.)-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL)OXY)-
Systematic Name English
PROPIONITRILE, 3-((3-METHOXYESTRA-1,3,5(10)-TRIEN-17-.BETA.-YL)OXY)-
Common Name English
NSC-89843
Code English
PROPIONITRILE, 3-((3-METHOXYESTRA-1,3,5(10)-TRIEN-17.BETA.-YL)OXY)-
Systematic Name English
Code System Code Type Description
CAS
53-44-1
Created by admin on Sat Dec 16 12:02:07 GMT 2023 , Edited by admin on Sat Dec 16 12:02:07 GMT 2023
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FDA UNII
1K4K9BIH91
Created by admin on Sat Dec 16 12:02:07 GMT 2023 , Edited by admin on Sat Dec 16 12:02:07 GMT 2023
PRIMARY
NSC
89843
Created by admin on Sat Dec 16 12:02:07 GMT 2023 , Edited by admin on Sat Dec 16 12:02:07 GMT 2023
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EPA CompTox
DTXSID301018920
Created by admin on Sat Dec 16 12:02:07 GMT 2023 , Edited by admin on Sat Dec 16 12:02:07 GMT 2023
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PUBCHEM
259692
Created by admin on Sat Dec 16 12:02:07 GMT 2023 , Edited by admin on Sat Dec 16 12:02:07 GMT 2023
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