Basic information
- CAS
1977-07-7- Standard SMILES
CN1CCN(C2=Nc3ccccc3Nc3ccccc32)CC1- InChIKey
VQHITFFJBFOMBG-UHFFFAOYSA-N- Molecular formula
- C18H20N4
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.16879665
Overview
structure given in first source
Names & identifiers
- Preferred name
- 11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine
- IUPAC
- 6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
- English name
- 11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine
- Molecular formula
- C18H20N4
- Molecular weight
- 292.38
Names & synonyms
1977-07-711-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepineL8J8TZV54GDTXSID801734635H-DIBENZO(b,e)(1,4)DIAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-11-(4-Methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine5H-Dibenzo[b,e][1,4]diazepine, 11-(4-methyl-1-piperazinyl)-RefChem:77771DTXCID6095954112-636-7Deschloroclozapine11-(4-Methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine
Show more names
Deschloroclozapine, 10 mM in DMSO(4-Methyl-1-piperazinyl)-5h-dibenzo(b,e)(1,4)diazepineinhibit,Inhibitor,Muscarinic acetylcholine receptor,hM4Di,Deschloroclozapine,hM3Dq,muscarinic-based,mAChR,DREADDs11-(4-Methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepineQ: What is 11-(4-Methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine Q: What is the CAS Number of 11-(4-Methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine
Dechloroclozapine6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepineDopamine serotonin antagonist-1CHEMBL7353811-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepineBRN 0761696MFCD01730958Deschloroclozapine (DCZ)
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Boiling point
- 457.5 · 457.5±55.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 83.3 mg/mL · DMSO : ≥ 83.3 mg/mL (284.90 mM)
- pka
- 7.82 · 7.82±0.20(Predicted)
- form
- solid
- color
- Yellow
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P405-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P264-P270-P301+P310-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers44 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海乾豪生物科技有限公司13524877553 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Aladdin Scientific[email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
金克隆（北京）生物技术有限公司400-910-1997 15330005590 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Related reactions
2 records
Compound notes
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