A-29981

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 Search

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

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	C12H13N3O
Molecular Weight	215.2511
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:24:36 GMT 2023` Edited by `admin` on `Fri Dec 15 15:24:36 GMT 2023`
Record UNII	75176RT36J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

A-29981

Common 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

1H-PYRAZOLO(3,4-B)(1,4)BENZOXAZEPINE, 4,5-DIHYDRO-1,3-DIMETHYL-, HYDROCHLORIDE (1:1)

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 Fri Dec 15 15:24:36 GMT 2023 , Edited by admin on Fri Dec 15 15:24:36 GMT 2023

PRIMARY

EPA CompTox

DTXSID40187945

Created by admin on Fri Dec 15 15:24:36 GMT 2023 , Edited by admin on Fri Dec 15 15:24:36 GMT 2023

PRIMARY

CAS

34375-78-5

Created by admin on Fri Dec 15 15:24:36 GMT 2023 , Edited by admin on Fri Dec 15 15:24:36 GMT 2023

PRIMARY

FDA UNII

75176RT36J

Created by admin on Fri Dec 15 15:24:36 GMT 2023 , Edited by admin on Fri Dec 15 15:24:36 GMT 2023

PRIMARY

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