Chlordiazepoxide hydrochloride
Basic information
- CAS
438-41-5- Standard SMILES
CN=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1.Cl- InChIKey
DMLFJMQTNDSRFU-UHFFFAOYSA-N- Molecular formula
- C16H15Cl2N3O
- Average molar mass
- 336.2 g/mol
- Monoisotopic mass
- 335.0592175
Overview
Chlordiazepoxide Hydrochloride can cause developmental toxicity according to state or federal government labeling requirements.
Names & identifiers
- Preferred name
- Chlordiazepoxide hydrochloride
- IUPAC
- 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;hydrochloride
- English name
- Chlordiazepoxide hydrochloride
- Molecular formula
- C16H15Cl2N3O
- Molecular weight
- 336.22
Names & synonyms
CHLORDIAZEPOXIDE HYDROCHLORIDEClopoxide chloride438-41-5LibriumChlordiazachelCalmodenChlordiazepoxide HclProtensinContolRetcolChlordiazepoksidA-Poxide
Show more names
murcilcebrumdroxollabicannovosedtimosinviansin
Droxol hydrochlorideLygenNapoton hydrochlorideLibritabs hydrochlorideRisachief hydrochlorideSK-LygenRo 5-0690Chlorodiazepoxide hydrochloride
Database identifiers
- CAS
438-41-5- PubChem CID
- 9916
- ChEMBL
CHEMBL1200703- UNII
- MFM6K1XWDK
Properties
Computed structural properties
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Melting point
- 213 ° · 213°
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in water, sparingly soluble in ethanol (96 per cent).
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Major Application
- pharmaceutical
- InChI
- 1S/C16H14ClN3O.ClH/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;/h2-9H,10H2,1H3,(H,18,19);1H
- InChIKey
- DMLFJMQTNDSRFU-UHFFFAOYSA-N
- SMILES
- Cl[H].CNC1=Nc2ccc(Cl)cc2C(c3ccccc3)=[N+]([O-])C1
- CAS DataBase Reference
- 438 · 438-41-5(CAS DataBase Reference)
- FDA UNII
- 6 K1XWDK · MFM6K1XWDK
- Proposition 65 List
- Chlordiazepoxide Hydrochloride
- EPA Substance Registry System
- Chlordiazepoxide hydrochloride (438-41-5)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Protein binding
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
- wgk
- 3
- rtecs
- DE9450000
- hs_code
- 2933910000
- Toxicity
- LD50 oral in rabbit: 590mg/kg
- risk_code
- 22-62-63-68
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 22-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H361fd
- Hazard Classifications
- Acute Tox. 4 OralRepr. 2
- Precautionary statements
- P201-P301+P312+P330-P308+P313
Chemistry & industry
Applications
UsesSedative-hypnotic.
General DescriptionChlordiazepoxide hydrochloride, 7-chloro-2-(methylamino)-5-phenyl-3H-1,4-benzodiazepine4-oxide monohydrochloride (Librium), is well absorbedafter oral administration. Peak plasma levels are reachedin 2 to 4 hours. The half-life of chlordiazepoxide is 6 to30 hours. N-demethylation and hydrolysis of the condensedamidino group are rapid and extensive, producing demoxepamas a major metabolite. Demoxepam can undergo fourdifferent metabolic fates. It is converted principally to itsactive metabolite nordazepam, which is also a major activemetabolite of diazepam, clorazepate, and prazepam.Nordazepam, in turn, is converted principally to active oxazepam(marketed separately), which conjugated to the excretedglucuronide. Because of the long half-life of parentdrug and its active metabolites, this drug is long acting andself-tapering. As with diazepam (vide infra), repeated administrationof chlordiazepoxide can result in accumulationof parent drug and its active metabolites, and thus cause excessivesedation.
General DescriptionCrystals or off-white powder.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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