ADR-851

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H18ClN3O2.ClH
Molecular Weight	332.226
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.NC1=C(Cl)C=C(C(=O)NC[C@@H]2CCCN2)C3=C1CCO3

InChI

InChIKey=PCBGZTCWZUGEJX-QRPNPIFTSA-N

InChI=1S/C14H18ClN3O2.ClH/c15-11-6-10(13-9(12(11)16)3-5-20-13)14(19)18-7-8-2-1-4-17-8;/h6,8,17H,1-5,7,16H2,(H,18,19);1H/t8-;/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	C14H18ClN3O2
Molecular Weight	295.765
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 `Fri Dec 15 15:52:18 GMT 2023` Edited by `admin` on `Fri Dec 15 15:52:18 GMT 2023`
Record UNII	303JW6Z3QJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ADR-851

Code

English

7-BENZOFURANCARBOXAMIDE, 4-AMINO-5-CHLORO-2,3-DIHYDRO-N-((2S)-2-PYRROLIDINYLMETHYL)-, MONOHYDROCHLORIDE

Systematic Name

English

7-BENZOFURANCARBOXAMIDE, 4-AMINO-5-CHLORO-2,3-DIHYDRO-N-(2-PYRROLIDINYLMETHYL)-, MONOHYDROCHLORIDE, (S)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00154097

Created by admin on Fri Dec 15 15:52:18 GMT 2023 , Edited by admin on Fri Dec 15 15:52:18 GMT 2023

PRIMARY

PUBCHEM

130053

Created by admin on Fri Dec 15 15:52:18 GMT 2023 , Edited by admin on Fri Dec 15 15:52:18 GMT 2023

PRIMARY

FDA UNII

303JW6Z3QJ

Created by admin on Fri Dec 15 15:52:18 GMT 2023 , Edited by admin on Fri Dec 15 15:52:18 GMT 2023

PRIMARY

CAS

123805-17-4

Created by admin on Fri Dec 15 15:52:18 GMT 2023 , Edited by admin on Fri Dec 15 15:52:18 GMT 2023

PRIMARY

Related Record Type Details


					G7XD7M21JC

ADR-851 FREE BASE

PARENT -> SALT/SOLVATE