Conivaptan hydrochloride

C32H27ClN4O2CAS 168626-94-6535.04 g/mol

Open in Covalent MOL file
NHNNONHOHCl
Amide

Properties

Molecular formula
C32H27ClN4O2
Molar mass
535.04 g/mol
Exact mass
534.1823 Da
Melting point
above 250 °C
logP
6.93Crippen estimate
Polar surface area
78.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

Warning
Health Hazard (GHS08)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
168626-94-6
SMILES
Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2.Cl
InChIKey
BTYHAFSDANBVMJ-UHFFFAOYSA-N
InChI
InChI=1S/C32H26N4O2.ClH/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22;/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • [1,1′-Biphenyl]-2-carboxamide, N-[4-[(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl]-, hydrochloride (1:1)
  • [1,1′-Biphenyl]-2-carboxamide, N-[4-[(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl]-, monohydrochloride
  • YM 087
  • Vaprisol
  • Conivaptan monohydrochloride

Work with Conivaptan hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-[(Biphenyl-2-ylcarbonyl)amino]benzoic acid168626-74-241 % similar Mozavaptan137975-06-540 % similar 5-Dehydro tolvaptan137973-76-332 % similar Tolvaptan150683-30-031 % similar Kartogenin4727-31-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook