N-desmethyladinazolam (Q27285105)

N-Desmethyladinazolam (English)

14 October 2016

chemical formula

C₁₈H₁₆ClN₅

1 reference

N-Desmethyladinazolam (English)

14 October 2016

canonical SMILES

CNCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4

1 reference

N-Desmethyladinazolam (English)

InChI=1S/C18H16ClN5/c1-20-10-16-22-23-17-11-21-18(12-5-3-2-4-6-12)14-9-13(19)7-8-15(14)24(16)17/h2-9,20H,10-11H2,1H3

14 October 2016

Identifiers

InChI

1 reference

N-Desmethyladinazolam (English)

XPMACCNVZKHGPT-UHFFFAOYSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

N-Desmethyladinazolam (English)

14 October 2016

2 references

UNII

NYA2I3DDW4

N-desmethyladinazolam (English)

XPMACCNVZKHGPT-UHFFFAOYSA-N

14 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=37115-33-6

1 reference

8-Chloro-N-methyl-6-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine-1-methanamine (English)

14 October 2016

1 reference

N-Desmethyladinazolam (English)

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL436197 (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID40113103

0 references

Human Metabolome Database ID

HMDB0255121

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XPMACCNVZKHGPT-UHFFFAOYSA-N

UNII

NYA2I3DDW4

1 reference

stated in

Global Substance Registration System

UNII

NYA2I3DDW4

N-desmethyladinazolam (English)