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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16N2O
Molecular Weight 264.3217
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORG-34167

SMILES

N[C@@H](CC=C)C1=C(C=CC=C1)C2=NOC3=CC=CC=C23

InChI

InChIKey=AYDSLXXUAYWCBG-HNNXBMFYSA-N
InChI=1S/C17H16N2O/c1-2-7-15(18)12-8-3-4-9-13(12)17-14-10-5-6-11-16(14)20-19-17/h2-6,8-11,15H,1,7,18H2/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H16N2O
Molecular Weight 264.3217
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:30:55 GMT 2023
Edited
by admin
on Sat Dec 16 01:30:55 GMT 2023
Record UNII
UM4N969CJQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORG-34167
Code English
(1S)-1-(2-(1,2-BENZOXAZOL-3-YL)PHENYL)BUT-3-EN-1-AMINE
Systematic Name English
(.ALPHA.S)-2-(1,2-BENZISOXAZOL-3-YL)-.ALPHA.-2-PROPEN-1-YLBENZENEMETHANAMINE
Systematic Name English
ORG34167
Code English
BENZENEMETHANAMINE, 2-(1,2-BENZISOXAZOL-3-YL)-.ALPHA.-2-PROPEN-1-YL-, (.ALPHA.S)
Systematic Name English
Code System Code Type Description
FDA UNII
UM4N969CJQ
Created by admin on Sat Dec 16 01:30:55 GMT 2023 , Edited by admin on Sat Dec 16 01:30:55 GMT 2023
PRIMARY
CAS
198968-25-1
Created by admin on Sat Dec 16 01:30:55 GMT 2023 , Edited by admin on Sat Dec 16 01:30:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID801037129
Created by admin on Sat Dec 16 01:30:55 GMT 2023 , Edited by admin on Sat Dec 16 01:30:55 GMT 2023
PRIMARY
PUBCHEM
9795264
Created by admin on Sat Dec 16 01:30:55 GMT 2023 , Edited by admin on Sat Dec 16 01:30:55 GMT 2023
PRIMARY
SMS_ID
300000042453
Created by admin on Sat Dec 16 01:30:55 GMT 2023 , Edited by admin on Sat Dec 16 01:30:55 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY