InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)

【InChIKey】

InChIKey=GYHCTFXIZSNGJT-UHFFFAOYSA-N

【SMILES】

Cc1ccccc1C(=O)Nc2ccc(c(c2)C)C(=O)N3CCCC(c4c3ccc(c4)Cl)O

【MOL File】

TOLVAPTAN.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:5

XLogP3:4.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

【WGK Germany】

4CML File

TOLVAPTAN.cml

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150683-30-0 TOLVAPTAN

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】