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151039-63-3 | Phosphonium, tributyl[[4-[[(2S)-2-[[(cyclohexylamino)(cyclohexylimino)methyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]phenyl]methyl]-, chloride (1:1)
CAS No: 151039-63-3 Catalog No: AG001N0V MDL No:
Product Description
Catalog Number:
AG001N0V
Chemical Name:
Phosphonium, tributyl[[4-[[(2S)-2-[[(cyclohexylamino)(cyclohexylimino)methyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]phenyl]methyl]-, chloride (1:1)
CAS Number:
151039-63-3
Molecular Formula:
C45H68ClN4OP
Molecular Weight:
747.4744
IUPAC Name:
tributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl]phosphanium;chloride;hydrochloride
InChI:
InChI=1S/C45H67N4OP.2ClH/c1-4-7-30-51(31-8-5-2,32-9-6-3)35-36-25-28-42(29-26-36)46-44(50)43(34-37-24-27-38-18-16-17-19-39(38)33-37)49-45(47-40-20-12-10-13-21-40)48-41-22-14-11-15-23-41;;/h16-19,24-29,33,40-41,43H,4-15,20-23,30-32,34-35H2,1-3H3,(H2-,46,47,48,49,50);2*1H/t43-;;/m0../s1
InChI Key:
YYJGBEZPVOUBMJ-KRFCICRISA-N
SMILES:
CCCC[P+](Cc1ccc(cc1)NC(=O)[C@H](Cc1ccc2c(c1)cccc2)NC(=NC1CCCCC1)NC1CCCCC1)(CCCC)CCCC.[Cl-]
Properties
Complexity:
976
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
782.459g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
783.948g/mol
Monoisotopic Mass:
782.459g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| TRPA1 in bradykinin-induced mechanical hypersensitivity of vagal C fibers in guinea pig esophagus. | American journal of physiology. Gastrointestinal and liver physiology 20090201 |
| COX-dependent and -independent pathways in bradykinin-induced anion secretion in rat epididymis. | Journal of cellular physiology 20020501 |
| The nonpeptide WIN 64338 is a bradykinin B2 receptor antagonist. | Proceedings of the National Academy of Sciences of the United States of America 19940524 |
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