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Details

Stereochemistry ACHIRAL
Molecular Formula C18H16ClN3O2.ClH
Molecular Weight 378.252
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NS-417

SMILES

Cl.CN1CCC2=C(C1)C3=C(C=C2C4=CC=C(Cl)C=C4)C(=NO)C(=O)N3

InChI

InChIKey=ZUDLQSUXIXYHLR-UHFFFAOYSA-N
InChI=1S/C18H16ClN3O2.ClH/c1-22-7-6-12-13(10-2-4-11(19)5-3-10)8-14-16(15(12)9-22)20-18(23)17(14)21-24;/h2-5,8,24H,6-7,9H2,1H3,(H,20,21,23);1H

HIDE SMILES / InChI

Molecular Formula C18H16ClN3O2
Molecular Weight 341.792
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:54:35 GMT 2023
Edited
by admin
on Sat Dec 16 07:54:35 GMT 2023
Record UNII
K8E98B63GN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NS-417
Code English
1H-PYRROLO(3,2-H)ISOQUINOLINE-2,3-DIONE, 5-(4-CHLOROPHENYL)-6,7,8,9-TETRAHYDRO-8-METHYL-, 3-OXIME, HYDROCHLORIDE (1:1)
Systematic Name English
NS417
Code English
1H-PYRROLO(3,2-H)ISOQUINOLINE-2,3-DIONE, 5-(4-CHLOROPHENYL)-6,7,8,9-TETRAHYDRO-8-METHYL-, 3-OXIME, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
352204-06-9
Created by admin on Sat Dec 16 07:54:35 GMT 2023 , Edited by admin on Sat Dec 16 07:54:35 GMT 2023
PRIMARY
FDA UNII
K8E98B63GN
Created by admin on Sat Dec 16 07:54:35 GMT 2023 , Edited by admin on Sat Dec 16 07:54:35 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY