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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13N3O.ClH
Molecular Weight 251.712
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-29981

SMILES

Cl.CN1N=C(C)C2=C1OC3=CC=CC=C3CN2

InChI

InChIKey=LQIWITKKFTZURO-UHFFFAOYSA-N
InChI=1S/C12H13N3O.ClH/c1-8-11-12(15(2)14-8)16-10-6-4-3-5-9(10)7-13-11;/h3-6,13H,7H2,1-2H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
A-29981
Common Name English
1H-PYRAZOLO(3,4-B)(1,4)BENZOXAZEPINE, 4,5-DIHYDRO-1,3-DIMETHYL-, HYDROCHLORIDE (1:1)
Preferred Name English
4,5-DIHYDRO-1,3-DIMETHYL-1H-PYRAZOLO(3,4-B)(1,4)-BENZOXAZEPINE HYDROCHLORIDE
Systematic Name English
1H-PYRAZOLO(3,4-B)(1,4)BENZOXAZEPINE, 4,5-DIHYDRO-1,3-DIMETHYL-, MONOHYDROCHLORIDE
Systematic Name English
4,5-DIHYDRO-1,3-DIMETHYL-1H-PYRAZOLO(3,4-B)(1,4)BENZOXAZEPINE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
198139
Created by admin on Mon Mar 31 17:56:46 GMT 2025 , Edited by admin on Mon Mar 31 17:56:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID40187945
Created by admin on Mon Mar 31 17:56:46 GMT 2025 , Edited by admin on Mon Mar 31 17:56:46 GMT 2025
PRIMARY
CAS
34375-78-5
Created by admin on Mon Mar 31 17:56:46 GMT 2025 , Edited by admin on Mon Mar 31 17:56:46 GMT 2025
PRIMARY
FDA UNII
75176RT36J
Created by admin on Mon Mar 31 17:56:46 GMT 2025 , Edited by admin on Mon Mar 31 17:56:46 GMT 2025
PRIMARY
SUBSTANCE RECORD
Structure of A-29981
NIH
NCATS
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