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Details

Stereochemistry ACHIRAL
Molecular Formula C17H20ClN5.C4H6O4
Molecular Weight 447.915
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-CHLORO-5-METHYL-11-(4-METHYLPIPERAZIN-1-YL)-5H-PYRROLO(1,2-B)(1,2,5)BENZOTRIAZEPINE SUCCINATE

SMILES

OC(=O)CCC(O)=O.CN1CCN(CC1)C2=NC3=CC(Cl)=CC=C3N(C)N4C=CC=C24

InChI

InChIKey=NDWPAMUUPQMZQZ-UHFFFAOYSA-N
InChI=1S/C17H20ClN5.C4H6O4/c1-20-8-10-22(11-9-20)17-16-4-3-7-23(16)21(2)15-6-5-13(18)12-14(15)19-17;5-3(6)1-2-4(7)8/h3-7,12H,8-11H2,1-2H3;1-2H2,(H,5,6)(H,7,8)

HIDE SMILES / InChI

Molecular Formula C17H20ClN5
Molecular Weight 329.827
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H6O4
Molecular Weight 118.088
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 09:11:36 UTC 2019
Edited
by admin
on Tue Oct 22 09:11:36 UTC 2019
Record UNII
OY3FR97QJK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-CHLORO-5-METHYL-11-(4-METHYLPIPERAZIN-1-YL)-5H-PYRROLO(1,2-B)(1,2,5)BENZOTRIAZEPINE SUCCINATE
Systematic Name English
BUTANEDIOIC ACID, COMPD. WITH 8-CHLORO-5-METHYL-11-(4-METHYL-1-PIPERAZINYL)-5H-PYRROLO(1,2-B)(1,2,5)BENZOTRIAZEPINE
Systematic Name English
Code System Code Type Description
CAS
79700-41-7
Created by admin on Tue Oct 22 09:11:36 UTC 2019 , Edited by admin on Tue Oct 22 09:11:36 UTC 2019
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
24835891
Created by admin on Tue Oct 22 09:11:36 UTC 2019 , Edited by admin on Tue Oct 22 09:11:36 UTC 2019
PRIMARY
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