Cyclohexanecarboxylic acid, 4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-, hydrate (1:1), trans-

CAS Registry Number®

1259393-05-9

CAS Name

Cyclohexanecarboxylic acid, 4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-, hydrate (1:1), trans-

Molecular Formula

C31H36F6N6O2.H2O

Cite this Page

Cyclohexanecarboxylic acid, 4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-, hydrate (1:1), trans-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1259393-05-9 (retrieved 2024-11-19) (CAS RN: 1259393-05-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H36F6N6O2.H2O/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37;/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45);1H2/t20-,22-,26-;/m0./s1

InChIKey

InChIKey=SNDKWXRGPMCSQJ-AWQMOBFQSA-N

SMILES

N(CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)([C@@H]2C=3C(N(C[C@@H]4CC[C@@H](C(O)=O)CC4)CCC2)=C(C)C=C(C)C3)C=5N=NN(C)N5.O

Canonical SMILES

O=C(O)C1CCC(CN2C=3C(=CC(=CC3C(N(C=4N=NN(N4)C)CC=5C=C(C=C(C5)C(F)(F)F)C(F)(F)F)CCC2)C)C)CC1.O

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-, hydrate (1:1), trans-

CAS INSIGHTSTM
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