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Zapizolam

HCID 68832
NotesReactions
Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
64098-32-4
Standard SMILES
Clc1ccc2c(n1)C(c1ccccc1Cl)=NCc1nncn1-2
InChIKey
FOWABKOXWTZAKY-UHFFFAOYSA-N
Molecular formula
C15H9Cl2N5
Average molar mass
330.2 g/mol
Monoisotopic mass
329.0235007

Overview

Zapizolam is a small molecule drug. Zapizolam has a monoisotopic molecular weight of 329.02 Da.

Names & identifiers

Preferred name
Zapizolam
IUPAC
12-chloro-9-(2-chlorophenyl)-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,8,11,13-hexaene
English name
zapizolam
Molecular formula
C15H9Cl2N5
Molecular weight
330.17

Names & synonyms

ZapizolamZapizolam [INN]ZapizolamumZapizolamum [INN-Latin]EINECS 264-670-8UNII-MFF90009B9BRN 1154881MFF90009B9D 13129D-13,1298-chloro-6-(2-chlorophenyl)-4h-pyrido[2,3-f][1,2,4]triazolo[4,3-a][1,4]diazepineDTXSID10214292
Show more names
D-131294H-Pyrido[2,3-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 8-chloro-6-(2-chlorophenyl)-
8-Chloro-6-(o-chlorophenyl)-4H-pyrido(2,3-f)-s-triazolo(4,3-a)(1,4)diazepine8-Chloro-6-(2-chlorophenyl)-4H-pyrido(2,3-f)(1,2,4)triazolo(4,3-a)(1,4)diazepineZapizolamum (INN-Latin)4H-Pyrido(2,3-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 8-chloro-6-(2-chlorophenyl)-RefChem:195858DTXCID10136783264-670-864098-32-4

Database identifiers

CAS
64098-32-4
PubChem CID
68832
DTXSID
DTXSID10214292
ChEMBL
CHEMBL2105523
UNII
MFF90009B9
EC Number
264-670-8
Nikkaji

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
56 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
22
Formal charge
0
Complexity
446

Physicochemical properties

Boiling point
546.2 · 546.2±60.0 °C(Predicted)
Density
1.58 · 1.58±0.1 g/cm3(Predicted)
pka
1.24 · 1.24±0.40(Predicted)
FDA UNII
90009 B9 · MFF90009B9

Related reactions

3 records
New reaction record
HRID 1706418 reaction equation
HRID 1706418As reactantuspto-grants-1980_06
HRID 2135682 reaction equation
HRID 2135682As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2420482 reaction equation
HRID 2420482As reactantuspto-grants-1978_08

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
J32.857J