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(R)-tolvaptan

PropertiesImage
MNX_IDMNXM87433 Image of MNXM87433
referencechebi:231426
formulaC26H25ClN2O3
global charge0
mol weight448.95
InChIKeyGYHCTFXIZSNGJT-XMMPIXPASA-N
InChIInChI=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)/t24-/m1/s1
SMILESCC1=CC(NC(=O)C2=C(C)C=CC=C2)=CC=C1C(=O)N1CCC[C@@H](O)C2=C1C=CC(Cl)=C2
MNX internals
InChI (mnx)InChI=1/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)/t24-/m1/s1 Image of MNXM87433
SMILES (mnx)[CH3:1][C:16]1=[CH:6][CH:3]=[CH:4][CH:7]=[C:20]1[C:25]([NH:28][C:19]1=[CH:14][C:17]([CH3:2])=[C:21]([C:26]([N:29]2[CH2:13][CH2:5][CH2:8][C@@H:24]([OH:30])[C:22]3=[CH:15][C:18]([Cl:27])=[CH:9][CH:12]=[C:23]32)=[O:32])[CH:11]=[CH:10]1)=[O:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:231426
chebi:231426
GYHCTFXIZSNGJT-XMMPIXPASA-N 		(R)-tolvaptan
(+)-tolvaptan
(5R)-tolvaptan
(R)-(+)-OPC 41061
(R)-(+)-tolvaptan
(R)-OPC 41061
N-(4-{[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}-3-methylphenyl)-2-methylbenzamide

kegg.drug:D01213
keggD:D01213
GYHCTFXIZSNGJT-XMMPIXPASA-N 		Tolvaptan (JAN/USAN/INN)
Samsca (TN)

CHEBI:32246
chebi:32246 		tolvaptan
(+-)-4'-[(7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-o-tolu-m-toluidide
(+-)-tolvaptan
(RS)-tolvaptan
Jinarc
Jynarque
N-(4-{[(5RS)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}-3-methylphenyl)-2-methylbenzamide
OPC 41061
OPC-41061
RS-tolvaptan
Samsca
rac-N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide
tolvaptanum

keggD:M_D01213 		secondary/obsolete/fantasy identifier