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Substance Name: Ro 7-9957
RN: 34932-78-0
UNII: K3141VKX05
InChIKey: WKDHPXLDPOYJMH-UHFFFAOYSA-N

Molecular Weight

  • 394.1818
 
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Names and Synonyms

Name of Substance

  • Ro 7-9957

Synonym

  • UNII-K3141VKX05

Systematic Name

  • 7-Iodo-1,3-dihydro-1-methyl-5(2'-fluorophenyl) -2H-1,4-benzodiazepin-2-one

Registry Numbers

CAS Registry Number

  • 34932-78-0

FDA UNII

  • K3141VKX05

System Generated Number

  • 0034932780

Structure Descriptors

InChI

1S/C16H12FIN2O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3

InChIKey

WKDHPXLDPOYJMH-UHFFFAOYSA-N

Smiles

CN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)I

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.14 (none)   EXP
Water Solubility 6.930 mg/L 25 EST
Vapor Pressure 4.08E-09 mm Hg 25 EST
Henry's Law Constant 1.33E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.11E-12 cm3/molecule-sec 25 EST

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