CAS 65854-78-6|7-氯-1,3-二氢-3-羟基-5-(苯基-d5)-2H-1,4-苯并二氮杂-2-酮|去甲羟安定-d5|oxazepam|7-chloro-3-hydroxy-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one|Oxazepam-d5|Oxazepam-d5 solution|去甲...

Molecular Formula

C₁₅H₁₁ClN₂O₂

Molecular Mass

286.71304

Exact Mass

286.05090528

InChI

InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)

InChIKey

ADIMAYPTOBDMTL-UHFFFAOYSA-N

Canonic Smiles

O=C1Nc2ccc(cc2C(=NC1O)c1ccccc1)Cl

Isomeric Smiles

c1ccc(cc1)C1=NC(C(=O)Nc2c1cc(cc2)Cl)O

JChem

Acid pKa

10.607201

H Acceptors

H Donor

LogD (pH = 5.5)

2.9232774

LogD (pH = 7.4)

2.9230137

Log P

2.9232807

Molar Refractivity

77.8944

Polarizability

29.1362

Polar Surface Area

61.69

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

7-氯-1,3-二氢-3-羟基-5-(苯基-d5)-2H-1,4-苯并二氮杂-2-酮去甲羟安定-d5Oxazepam-d5Oxazepam-d5 solution去甲羟安定-d5 溶液Nesontil-d5Serepax-d57-Chloro-1,3-dihydro-3-hydroxy-5-(phenyl-d5)-2H-1,4-benzodiazepin-2-oneSeresta-d57-Chloro-3-hydroxy-5-(phenyl-d5)-1,3-dihydro-2H-1,4-benzodiazepin-2-oneN-Desmethyltemazepam-d5Durazepam-d5Anxiolit-d5NSC 169448-d5Adumbran-d5Wy 3498-d5Oxazepam-d5Noctazepam-d5

IUPAC Traditional name

oxazepam 7-chloro-3-hydroxy-5-(²H₅)phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

IUPAC name

7-chloro-3-hydroxy-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one 7-chloro-3-hydroxy-5-(²H₅)phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

CAS Number

MDL Number

PubChem CID

PubChem SID

GHS Hazard statements

H225-H301-H311-H331-H370

H225-H301+H311+H331-H370

Hazard Class

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Risk Statements

11-23/24/25-39/23/24/25

Safety Statements

7-16-36/37-45

Storage Temperature

-20°C

European Hazard Symbols

Flammable (F)

Toxic (T)

Drug Control

USDEA Schedule IV; Home Office Schedule 4.1; psychotrope; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

regulated under CDSA - not available from Sigma-Aldrich Canada

UN Number

1230

RID/ADR

UN 1230 3/PG 2

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Packing Group

GHS Signal Word

Danger

GHS Precautionary statements

P210-P260-P280-P301+P310-P311

German water hazard class

MSDS Link

Download link

Physical Property

Flash Point

51.8 °F

11 °C

Mass Shift

M+5

Product Information

Concentration

1 mg/mL in methanol

Isotopic Purity

98 atom % D

Grade

analytical standard, for drug analysis

Certificate of Analysis

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No Data Available

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No Data Available

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TRC

O845702

Labelled Oxazepam. Anxiolytic; muscle relaxant (skeletal); anticonvulsant; ligand for the GABAA receptor benzodiazepinemodulatory site.Controlled substance (depressant).

From Data Sources

• Greenblatt, D.J., et al.: Clin. Pharmacokinet., 6, 89 (1971)

• Sisenwine, et al.: Arzneim. Forsch., 22, 682 (1971)

• Shearer, C.M., et al.: Anal. Profiles Drug Subs., 3, 441 (1971)

• Goldenthal, E.I., et al.: Toxicol. Appl. Pharmacol., 18, 185 (1971)

Commercial Catalog

Academic Data

Synonyms

IUPAC Traditional name

oxazepam 7-chloro-3-hydroxy-5-(²H₅)phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

IUPAC name

7-chloro-3-hydroxy-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one 7-chloro-3-hydroxy-5-(²H₅)phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

CAS Number

MDL Number

PubChem CID

PubChem SID

O845702

Labelled Oxazepam. Anxiolytic; muscle relaxant (skeletal); anticonvulsant; ligand for the GABAA receptor benzodiazepinemodulatory site.Controlled substance (depressant).

From Data Sources

• Greenblatt, D.J., et al.: Clin. Pharmacokinet., 6, 89 (1971)

• Sisenwine, et al.: Arzneim. Forsch., 22, 682 (1971)

• Shearer, C.M., et al.: Anal. Profiles Drug Subs., 3, 441 (1971)

• Goldenthal, E.I., et al.: Toxicol. Appl. Pharmacol., 18, 185 (1971)

Safety Information

Physical Property

Flash Point

51.8 °F

11 °C

Mass Shift

M+5

Product Information

Concentration

1 mg/mL in methanol

Isotopic Purity

98 atom % D

Grade

analytical standard, for drug analysis

Certificate of Analysis

Download link

Molecule

ID:132276