Basic information
- CAS
7722-15-8- Standard SMILES
N=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1- InChIKey
LNLMGKOHYYEWMY-UHFFFAOYSA-N- Molecular formula
- C15H12ClN3O
- Average molar mass
- 285.73 g/mol
- Monoisotopic mass
- 285.0668897
Names & identifiers
- Preferred name
- Norchlordiazepoxide
- IUPAC
- 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imine
- English name
- Norchlordiazepoxide
- Molecular formula
- C15H12ClN3O
- Molecular weight
- 285.73
Names & synonyms
N-DemethylchlordiazepoxideNorchlordiazepoxide7722-15-8N-DesmethylchlordiazepoxideDesmethylchlordiazepoxideRo 5-08833H-1,4-Benzodiazepin-2-amine, 7-chloro-5-phenyl-, 4-oxideDemethylchlordiazepoxideF7P2N4H0H2DTXSID102279687-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imineJ14.781H
Show more names
ro5-0883Norchlordiazepoxide solution
RO-5-08832-Amino-7-chloro-5-phenyl-3H-1,4-benzodiazepine 4-oxide3H-1,4-Benzodiazepine, 2-amino-7-chloro-5-phenyl-, 4-oxide7-Chloro-2-amino-5-phenyl-3H-1,4-benzodiazepine 4-oxide7-Chloro-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide(2z)-7-chloro-2-imino-5-phenyl-2,3-dihydro-4h-1,4-benzodiazepin-4-olRO 5-0883/13H-1,4-BENZODIAZEPIN-2-AMINE, 7-CHLORO-5-PHENYL-, 4-OXIDE, HYDROCHLORIDE
Database identifiers
- CAS
7722-15-8- PubChem CID
- 24397
- DTXSID
DTXSID10227968- ChEMBL
CHEMBL2260845- UNII
- F7P2N4H0H2
- EC Number
- 695-021-0
- Nikkaji
- J14.781H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 553
Physicochemical properties
- Boiling point
- 532.5 · 532.5±60.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- Flash point
- 2 ℃ · 2℃
- storage temp.
- room temp
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 2.1 · 2.10±0.20(Predicted)
- color
- Off-White to Pale Yellow
- Major Application
- clinical testing
- InChI
- 1S/C15H12ClN3O/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19(20)9-14(17)18-13/h1-8H,9H2,(H2,17,18)
- InChIKey
- LNLMGKOHYYEWMY-UHFFFAOYSA-N
- SMILES
- ClC1=CC2=C(N=C(N)C[N+]([O-])=C2C3=CC=CC=C3)C=C1
- FDA UNII
- 7 P2N4H0H2 · F7P2N4H0H2
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H332-H319
- Precautionary statements
- 210 · P210-P305+P351+P338
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-20/21/22-36
- Safety Statements
- 16 · 16-26-36/37
- RIDADR
- 1648 · UN 1648 3 / PGII
- WGK Germany
- 2 · 2
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information3H-1,4-Benzodiazepin-2-amine, 7-chloro-5-phenyl-, 4-oxide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 2
- ridadr
- UN 1648 3 / PGII
- risk_code
- 11-20/21/22-36
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-26-36/37
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H302+H332-H319
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
- Precautionary statements
- P210-P305+P351+P338
Chemistry & industry
Applications
UsesThe main metabolite of Chlordiazepoxide (C327050).
General DescriptionNorchlordiazepoxide is a major urinary metabolite of the benzodiazepine chlordiazepoxide, indicated for short term treatment of severe anxiety and for the management of acute alcohol withdrawal syndrome. The metabolite, also known as N-desmethylchlordiazepoxide, is pharmacologically active. This Certified Spiking Solution is suitable for GC/MS or LC/MS methods in chlordiazepoxide testing for forensic analysis, urine drug testing, or clinical toxicology.
Suppliers8 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
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Compound notes
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