Spectrum CCMSLIB00000078445 for Conivaptan HCl (Vaprisol)

Rating: (*)★(*)★(*)☆( )☆( )☆

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
168626-94-6
C32H27ClN4O2
534.1822537840001
Cl.O=C(NC1=CC=C(C=C1)C(=O)N2C=3C=CC=CC3C=4NC(=NC4CC2)C)C=5C=CC=CC5C=6C=CC=CC6
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
BTYHAFSDANBVMJ-UHFFFAOYSA-N