Basic information
- CAS
2848-96-6- Standard SMILES
CC(=O)OC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O- InChIKey
CYDZMDOLVUBPNL-UHFFFAOYSA-N- Molecular formula
- C17H12Cl2N2O3
- Average molar mass
- 363.2 g/mol
- Monoisotopic mass
- 362.0224976
Overview
RN given refers to unlabeled cpd without isomeric designation
Names & identifiers
- Preferred name
- Lorazepam acetate
- IUPAC
- [7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
- English name
- 3-(Acetyloxy)-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- Molecular formula
- C17H12Cl2N2O3
- Molecular weight
- 363.19
Names & synonyms
Lorazepam acetate2848-96-6Y4HA6DWZ18RO-7-8407RefChem:154093220-653-7[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate3-(acetyloxy)-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 3-(acetyloxy)-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-acetic acid [7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] esterUNII-Y4HA6DWZ18(3RS)-7-Chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-ylAcetate (Lorazepam Acetate)
Show more names
LorazepaM Related CoMpound A7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl acetateLorazepam 3-acetateLorazepam USP Impurity ALORAZEPAM EP IMPURITY B (ECYDZMDOLVUBPNL-UHFFFAOYSA-NLorazepam USP Related Compound ALorazepam Related Compound-A /Lorazepam - Impurity B
EINECS 220-653-7Lorazepam Impurity 8Lorazepam EP Impurity B7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-2-oxo-2H-1,4-benzodiazepin-3-yl acetateOprea1_469957CHEMBL507764SCHEMBL6527459SCHEMBL30843792
Database identifiers
- CAS
2848-96-6- PubChem CID
- 17836
- DTXSID
DTXSID00951169- ChEMBL
CHEMBL507764- UNII
- Y4HA6DWZ18
- EC Number
- 220-653-7
- Nikkaji
- J306.777G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 540
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 243 · 243-245 °C
- Boiling point
- 524.4 · 524.4±50.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 10.34 · 10.34±0.70(Predicted)
- BRN
- 764089 · 764089
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C17H12Cl2N2O3/c1-9(22)24-17-16(23)20-14-7-6-10(18)8-12(14)15(21-17)11-4-2-3-5-13(11)19/h2-8,17H,1H3,(H,20,23)
- InChIKey
- CYDZMDOLVUBPNL-UHFFFAOYSA-N
- SMILES
- CC(=O)OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O
- LogP
- 3.24 · 3.24
- FDA UNII
- 4 HA6DWZ18 · Y4HA6DWZ18
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410
- Precautionary statements
- 264 · P264-P270-P273-P301+P312-P391-P501
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-50/53
- Safety Statements
- 60 · 60-61
- RIDADR
- 3077 · UN 3077 9 / PGIII
- WGK Germany
- 2 · WGK 2
- HS Code
- 2933997500 · 2933997500
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.
Warning
H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2-oxo-2H-1,4-benzodiazepin-3-yl acetate (EC: 220-653-7)
Hazard Classes and CategoriesAcute Tox. 4 (87%)
Safety data
- wgk
- WGK 2
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 2933997500
- risk_code
- 22-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 60-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H410
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P264-P270-P273-P301+P312-P391-P501
Chemistry & industry
Applications
UsesLorazepam Acetate has been commonly used in the study of its stereoselective binding to human serum albumin (HSA).
Suppliers22 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海恬枫生物科技有限公司18221172427; 18221172427 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海鑫科泰生物科技有限公司18043446684 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
深圳大力水手生物科技有限公司0755-86320212 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
常州泽源医药科技有限公司15090501328 · [email protected]
重庆卡兰医药有限公司[email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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