Isoclozapine
Basic information
- CAS
1977-08-8- Standard SMILES
CN1CCN(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CC1- InChIKey
APOMSSAGEAOUGO-UHFFFAOYSA-N- Molecular formula
- C18H19ClN4
- Average molar mass
- 326.8 g/mol
- Monoisotopic mass
- 326.1298243
Overview
structure given in first source
Names & identifiers
- Preferred name
- Isoclozapine
- IUPAC
- 8-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
- English name
- 2-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine
- Molecular formula
- C18H19ClN4
- Molecular weight
- 326.82
Names & synonyms
ISOCLOZAPINE1977-08-82-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine4Q6V732VRTDTXSID401734645H-DIBENZO(b,e)(1,4)DIAZEPINE, 2-CHLORO-11-(4-METHYL-1-PIPERAZINYL)-RefChem:923661DTXCID1095955CHEMBL4153008-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepineBRN 0763655
Show more names
HF-20462-Chloro-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine8-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,5]benzodiazepine5H-Dibenzo[b,e][1,4]diazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-
UNII-4Q6V732VRTSCHEMBL140207SCHEMBL29822724BAA977082-Chloro-11-(4-methyl-1-piperazinyl)-5H-benzo(b,e)(1,4)diazepineBDBM50010594NCGC00386501-01DB-217114
Database identifiers
- CAS
1977-08-8- PubChem CID
- 16104
- DTXSID
DTXSID40173464- ChEMBL
CHEMBL415300- UNII
- 4Q6V732VRT
- Nikkaji
- J42.189H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- FDA UNII
- 4 Q6V732VRT · 4Q6V732VRT
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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