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Home> Hot Product Listed W   > W 1760A
151767-02-1 structure

W 1760A

Iupac Name:sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
CAS No.:151767-02-1
EINECS(EC#): 290-409-2
Molecular Weight:608.169
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

Namoxyrate

Inchi
InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1
InChkey
LBFBRXGCXUHRJY-HKHDRNBDSA-M
Canonical Smiles
CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+]
Isomers Smiles
CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)
SCC5(CC5)CC(=O)[O-])O.[Na+]
Properties
Density
1.242
Boiling Point
100°C at 760 mmHg
Flash Point
302.6°C
Safety and Handling
Risk Statements
63-41-62
Safety Statements
26
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 151767-02-1 EC: 290-409-2 W 1760A ·ECHA C&L Inventory for CAS: CAS: 151767-02-1 EC: 290-409-2 W 1760A
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:608.169g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:607.192
  • Monoisotopic Mass:607.192
  • Complexity:898
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:98.6A^2
  • Heavy Atom Count:42
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcfB+MCBEAAAAAAAAAAAAGAAAAAAAAAA8YMEAAAAAAACx9AAAHgYACAAADk6F3iCyyPIIEgio AyTyTACCgCAhBzAImCEwbpgIJvLhk5GEcAhkwAHo2AeYwOAPhAACAAISAAAIAAQABCQAAAAAAAAA AA==
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