4H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4a,5-tetrahydro-9-chloro-7-phenyl-, (Z)-2-butenedioate (1:1)

Base Information

• Chemical Name: 4H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4a,5-tetrahydro-9-chloro-7-phenyl-, (Z)-2-butenedioate (1:1)
• CAS No.: 75017-25-3
• Molecular Formula: C22H21ClN2O5
• Molecular Weight: 428.8655
• Mol file: 75017-25-3.mol

Synonyms:1,2,4,4a-Tetrahydro-9-chlor-7-phenyl-5H(1,4)oxazino(4,3-a)(1,4)benzodiazepin-maleinat [German];4H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4a,5-tetrahydro-9-chloro-7-phenyl-, (Z)-2-butenedioate (1:1);1,2,4,4a-Tetrahydro-9-chlor-7-phenyl-5H(1,4)oxazino(4,3-a)(1,4)benzodiazepin-maleinat;75017-25-3;SCHEMBL11253030;C18H17ClN2O.C4H4O4;C18-H17-Cl-N2-O.C4-H4-O4;LS-100001

Chemical Property of 4H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4a,5-tetrahydro-9-chloro-7-phenyl-, (Z)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 5.67E-09mmHg at 25°C
• Boiling Point: 469.1°Cat760mmHg
• Flash Point: 237.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 428.1138995
• Heavy Atom Count: 30
• Complexity: 540

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1COCC2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O