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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16N2O.ClH
Molecular Weight 300.783
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORG-34167 MONOHYDROCHLORIDE

SMILES

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

InChI

InChIKey=LGNCTBFOSSNVRK-RSAXXLAASA-N
InChI=1S/C17H16N2O.ClH/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;1H/t15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 01:40:55 GMT 2023
Edited
by admin
on Sat Dec 16 01:40:55 GMT 2023
Record UNII
Z4REU9ML7P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORG-34167 MONOHYDROCHLORIDE
Common Name English
(1S)-1-(2-(1,2-BENZOXAZOL-3-YL)PHENYL)BUT-3-EN-1-AMINE HYDROCHLORIDE
Systematic Name English
BENZENEMETHANAMINE, 2-(1,2-BENZISOXAZOL-3-YL)-.ALPHA.-2-PROPEN-1-YL-, HYDROCHLORIDE (1:1), (.ALPHA.S)-
Systematic Name English
(S)-2-(1,2-BENZISOXAZOL-3-YL)-.ALPHA.-(2-PROPENYL)BENZENEMETHANAMINE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
198966-49-3
Created by admin on Sat Dec 16 01:40:55 GMT 2023 , Edited by admin on Sat Dec 16 01:40:55 GMT 2023
PRIMARY
PUBCHEM
21969228
Created by admin on Sat Dec 16 01:40:55 GMT 2023 , Edited by admin on Sat Dec 16 01:40:55 GMT 2023
PRIMARY
FDA UNII
Z4REU9ML7P
Created by admin on Sat Dec 16 01:40:55 GMT 2023 , Edited by admin on Sat Dec 16 01:40:55 GMT 2023
PRIMARY