CAS Registry Number®
150683-30-0
CAS Name
Tolvaptan
Molecular Formula
C26H25ClN2O3
Molecular Mass
448.94
Compound Properties
-
Melting Point (1)
220-221 °C
Source(s)
- (1) Cordero-Vargas, Alejandro; Bioorganic & Medicinal Chemistry, (2006), 14(18), 6165-6173, CAplus
Other Names and Identifiers
InChI
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
C(=O)(N1C=2C(=CC(Cl)=CC2)C(O)CCC1)C3=C(C)C=C(NC(=O)C4=C(C)C=CC=C4)C=C3
Canonical SMILES
O=C(NC1=CC=C(C(=O)N2C3=CC=C(Cl)C=C3C(O)CCC2)C(=C1)C)C=4C=CC=CC4C
Other Names for this Substance
- Benzamide, N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methyl-
- 1H-1-Benzazepine, benzamide deriv.
- N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide
- OPC 41061
- Tolvaptan
- Samsca
- 1-[4-(2-Methylbenzoylamino)-2-methylbenzoyl]-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-ol
- Jynarque
- Jinarc
