Basic information
- CAS
123632-29-1- Standard SMILES
O=C(O)CCC(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O- InChIKey
UCUOKZUJHTYPJT-UHFFFAOYSA-N- Molecular formula
- C19H15ClN2O5
- Average molar mass
- 386.8 g/mol
- Monoisotopic mass
- 386.0669493
Overview
RN given refers to cpd without isomeric designation; structure in Negwer, 5th ed, #3843
Names & identifiers
- Preferred name
- Oxazepam succinate
- IUPAC
- 4-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoic acid
- English name
- (7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-benzo-1,4-diazepin-3-yl) hydrogen succinate
- Molecular formula
- C19H15ClN2O5
- Molecular weight
- 386.79
Names & synonyms
Oxazepam hemisuccinate4700-56-5EmpracilNulans(RS)-Oxazepam HOxazepam succinateSAS 538DCE8700INNSAS-538Butanedioic acid, mono(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl) esterSuccinic acid, monoester with 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one7-Chloro-1,3-dihydro-3-hemisuccinyloxy-2H-1,4-benzodiazepin-2-one
Show more names
Brn 0769233( -)-Oxazepam succinateButanedioic acid,1-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl) ester4-[(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoic acid
RefChem:168848225-175-2(7-Chloro-2,3-dihydro-2-oxo-5-phenyl-1H-benzo-1,4-diazepin-3-yl) hydrogen succinateMFCD016832604-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoic acidEINECS 225-175-2(+-)-Oxazepam succinateUNII-DCE8700INN
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 617
Experimental & physicochemical properties
LogP1.5
Physicochemical properties
- Melting point
- 173 · 173-174 °C
- Boiling point
- 625.6 · 625.6±55.0 °C(Predicted)
- Density
- 1.3207 · 1.3207 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- pka
- 4.25 · 4.25±0.17(Predicted)
- FDA UNII
- 8700 INN · DCE8700INN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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