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L119

L-703,606 oxalate salt hydrate

Name: L-703,606 oxalate salt hydrate
Brand: SIGMA

NK-1 tachykinin receptor antagonist, solid

Synonym(s):

cis-2-(Diphenylmethyl)-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine oxalate salt

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About This Item

Empirical Formula (Hill Notation):

C₂₇H₂₉IN₂ · C₂H₂O₄ · xH₂O

CAS Number:

351351-06-9

Molecular Weight:

598.47 (anhydrous basis)

UNSPSC Code:

12352200

PubChem Substance ID:

24278100

NACRES:

NA.77

MDL number:

MFCD11045930

Form:

solid

Storage condition:

desiccated

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Properties

Product Name

L-703,606 oxalate salt hydrate, solid

Quality Segment

100

form

solid

storage condition

desiccated

color

white

solubility

DMSO: >10 mg/mL, 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 11 mg/mL, H₂O: slightly soluble <2 mg/mL

SMILES string

O.OC(=O)C(O)=O.Ic1ccccc1CN[C@@H]2C3CCN(CC3)[C@@H]2C(c4ccccc4)c5ccccc5

InChI

1S/C27H29IN2.C2H2O4.H2O/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21;3-1(4)2(5)6;/h1-14,22,25-27,29H,15-19H2;(H,3,4)(H,5,6);1H2/t26-,27-;;/m1../s1

InChI key

NJAUFRHNYIJKDW-AJUXDCMMSA-N

Gene Information

human ... TACR1(6869)

Description

Biochem/physiol Actions

Potent and selective non-peptide NK-1 tachykinin receptor antagonist.

Disclaimer

Hygroscopic

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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