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Substance Name: Ro 5-3335
RN: 30195-30-3
UNII: DLH4T68L7I
InChIKey: XWNMORIHKRROGW-UHFFFAOYSA-N

Note

  • Inhibits gene expression by HIV-1 at the level of transcriptional trans-activation by Tat.

Molecular Formula

  • C13-H10-Cl-N3-O

Molecular Weight

  • 259.695
 
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Names and Synonyms

Name of Substance

  • Ro 5-3335

Synonyms

  • 7-Chloro-5-(2-pyrryl)-3H-1,4-benzodiazepin-2(H)-one
  • NSC 66020
  • UNII-DLH4T68L7I

Systematic Name

  • 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-

Registry Numbers

CAS Registry Number

  • 30195-30-3

FDA UNII

  • DLH4T68L7I

System Generated Number

  • 0030195303

Structure Descriptors

InChI

1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)

InChIKey

XWNMORIHKRROGW-UHFFFAOYSA-N

Smiles

c1cc([nH]c1)C2=NCC(=O)Nc3c2cc(cc3)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.59 (none)   EXP
Water Solubility 128 mg/L 25 EST
Vapor Pressure 2.80E-09 mm Hg 25 EST
Henry's Law Constant 2.99E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.