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Home> Encyclopedia > Hot Product Listed 5   > 5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one,9-azido-11-ethyl-6,11-dihydro-6-methyl-
71550-19-1 structure

5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one,9-azido-11-ethyl-6,11-dihydro-6-methyl-

Iupac Name:sodium;1-amino-4-(2,5-dimethylanilino)-9,10-dioxoanthracene-2-sulfonate
CAS No.:71550-19-1
EINECS(EC#): 250-847-7
Molecular Weight:444.437
Molecular Formula:C15H18N2O3 (isomer)
Names and Identifiers
Synonyms

6,11-Dihydro-9-azido-11-ethyl-6-methyl-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one 9-azido-11-ethyl-6-methyl-6,11-dihydro-5h-pyrido[2,3-b][1,5]benzodiazepin-5-one 9-azido-11-ethyl-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one 9-azido-11-ethyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one AC1Q1UG9 bdbm1643 BI-RJ 70 bi-rj-70 CHEMBL74690 DTXSID70157510 pyridobenzodiazepinone deriv. 45

Inchi
InChI=1S/C22H18N2O5S.Na/c1-11-7-8-12(2)15(9-11)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26;/h3-10,24H,23H2,1-2H3,(H,27,28,29);/q;+1/p-1
InChkey
PAFAWYISTWGZAG-UHFFFAOYSA-M
Canonical Smiles
CC1=CC(=C(C=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]
Properties
Density
1.188
Boiling Point
546.1°C at 760 mmHg
Flash Point
107.8°C
Computational chemical data
  • Molecular Weight:444.437g/mol
  • Molecular Formula:C15H18N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:444.076
  • Monoisotopic Mass:444.076
  • Complexity:800
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:138A^2
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB7OCBAAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAADBUAAAHgQQAAAADAyB2AAywYLAAAKI AqRSQHDCAEAlAgAIiB0AZMgIIHrAlZGEIYxgkADIyccdiMCO0ACAwCASAQCgAQWAQCQCAAAAAAAA AA==
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