Completing data — usually done within a minute
Basic information
- Standard SMILES
O=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1- InChIKey
PSADRZMLSXCSAS-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O2
- Average molar mass
- 286.71 g/mol
Names & identifiers
- Preferred name
- Demoxepam
- English name
- Demoxepam
- Molecular formula
- C15H11ClN2O2
- Molecular weight
- 286.71
Names & synonyms
Chlordiazepoxide Related CoMpound Aro5-2092NSC 4607Ro 5-2092NSC-46077NSC-46007DemoxepamNSC 169898ro5-2092lactamRo 5-2092 lactam
Database identifiers
- CAS
963-39-3- PubChem CID
- 13756
- UNII
- 8X1XP5M0SB
- Nikkaji
- J7.197H
Properties
Physicochemical properties
- Melting point
- 235 · 235-236 °C (decomp)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- Flash point
- 2 ℃ · 2℃
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.5 · pKa 4.5 (Uncertain)
- color
- White to Pale Yellow
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8,20H,9H2
- InChIKey
- PSADRZMLSXCSAS-UHFFFAOYSA-N
- SMILES
- ClC1=CC2=C(N(CC(=O)N=C2C=C1)O)c3ccccc3
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 X1XP5M0SB · 8X1XP5M0SB
- NIST Chemistry Reference
- Demoxepam(963-39-3)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- 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
- 3 · 3
- HS Code
- 2933996100 · 2933996100
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
- REACH Registrations
- Active
Safety & regulation
Safety data
- wgk
- 3
- ridadr
- UN 1648 3 / PGII
- hs_code
- 2933996100
- risk_code
- 11-20/21/22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F,Xn
- safety_code
- 16-26-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesA major metabolite of Chlordiazepoxide (C327050). A benzodiapine derivative with anticonvulsant properties.
Upstream & downstream products
Upstream raw materials
Suppliers44 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Aladdin Scientific[email protected]
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艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
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Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
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海蔚化学86-21-51086038 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
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上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
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深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
重庆卡兰医药有限公司[email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
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