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Details

Stereochemistry ACHIRAL
Molecular Formula C17H15ClN4O.ClH
Molecular Weight 363.241
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Alprazolam aminomethyl ketone hydrochloride

SMILES

Cl.CC1=NN=C(CN)N1C2=CC=C(Cl)C=C2C(=O)C3=CC=CC=C3

InChI

InChIKey=XXSQRHHXYGMXCM-UHFFFAOYSA-N
InChI=1S/C17H15ClN4O.ClH/c1-11-20-21-16(10-19)22(11)15-8-7-13(18)9-14(15)17(23)12-5-3-2-4-6-12;/h2-9H,10,19H2,1H3;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 C17H15ClN4O
Molecular Weight 326.78
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:20:19 UTC 2023
Edited
by admin
on Sat Dec 16 10:20:19 UTC 2023
Record UNII
SC7MXP4H26
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Alprazolam aminomethyl ketone hydrochloride
Common Name English
METHANONE, (2-(3-(AMINOMETHYL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-5-CHLOROPHENYL)PHENYL-, MONOHYDROCHLORIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60574454
Created by admin on Sat Dec 16 10:20:19 UTC 2023 , Edited by admin on Sat Dec 16 10:20:19 UTC 2023
PRIMARY
WIKIPEDIA
Alprazolam triazolobenzophenone
Created by admin on Sat Dec 16 10:20:19 UTC 2023 , Edited by admin on Sat Dec 16 10:20:19 UTC 2023
PRIMARY
PUBCHEM
15567865
Created by admin on Sat Dec 16 10:20:19 UTC 2023 , Edited by admin on Sat Dec 16 10:20:19 UTC 2023
PRIMARY
CAS
69505-70-0
Created by admin on Sat Dec 16 10:20:19 UTC 2023 , Edited by admin on Sat Dec 16 10:20:19 UTC 2023
PRIMARY
FDA UNII
SC7MXP4H26
Created by admin on Sat Dec 16 10:20:19 UTC 2023 , Edited by admin on Sat Dec 16 10:20:19 UTC 2023
PRIMARY
Related Record Type Details
Structure of (2-(3-(AMINOMETHYL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-5-CHLOROPHENYL)(PHENYL)METHANONE
SALT/SOLVATE -> PARENT
Structure of (2-(3-(AMINOMETHYL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-5-CHLOROPHENYL)(PHENYL)METHANONE
PARENT -> SALT/SOLVATE
NIH
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