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Home> Encyclopedia > Hot Product Listed 2   > 2H-1,4-Benzodiazepin-2-one,7-bromo-1,3-dihydro-3-hydroxy-5-(2-pyridinyl)-
36923-21-4 structure

2H-1,4-Benzodiazepin-2-one,7-bromo-1,3-dihydro-3-hydroxy-5-(2-pyridinyl)-

Iupac Name:benzhydryl (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS No.:36923-21-4
Molecular Weight:366.435
Molecular Formula:C23H26CLN3O3 (isomer)
Names and Identifiers
Synonyms

2h-1,4-benzodiazepin-2-one, 7-bromo-1,3-dihydro-3-hydroxy-5-(2-pyridinyl)- 2H-1,4-Benzodiazepin-2-one,7-bromo-1,3-dihydro-3-hydroxy-5-(2-pyridyl)- (8CI) 3-hydroxy bromazepam 3-Hydroxy BroMazepaM 1.0 Mg/ML in Methanol 3-Hydroxybromazepam 7-Bromo-3-hydroxy-1,3-dihydro-5-(2-pyridyl)-2H-1,4-benzodiazepin-2-one 7-bromo-3-hydroxy-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one AC1L4YNK AC1Q2743 AKOS030241408 HE282113 SCHEMBL13585027 URRUSNGCYBXNLO-UHFFFAOYSA-N

Inchi
InChI=1S/C20H18N2O3S/c21-16-18(23)22-15(11-12-26-19(16)22)20(24)25-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16-17,19H,12,21H2/t16-,19-/m1/s1
InChkey
NYYBPASOTOAXQW-VQIMIIECSA-N
Canonical Smiles
C1C=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4
Properties
Boiling Point
422.9°Cat760mmHg
Refractive Index
1.701
Flash Point
161.8°C
HS Code
3003201900
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:366.435g/mol
  • Molecular Formula:C23H26CLN3O3
  • Compound Is Canonicalized:True
  • Exact Mass:366.104
  • Monoisotopic Mass:366.104
  • Complexity:564
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:97.9A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MABAAAAAAAAAAAAAAABYAAAAAAAwYIAAAAAQAAABQAAAHgQQAAAADDzl2AawCINABAiI AiXSWAACAABgAhAIiIGICMgKZiqgMTiXMAAk1gG4qYeAwOAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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