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L119

L-703,606 oxalate salt hydrate

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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Size/SKUAvailabilityPrice
5 mg

Available to ship TODAYfromMILWAUKEE

$176.80
25 mg

Available to ship TODAYfromMILWAUKEE

$208.00
$660.45

About This Item

Empirical Formula (Hill Notation):
C27H29IN2 · C2H2O4 · xH2O
CAS Number:
Molecular Weight:
598.47 (anhydrous basis)
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.77
MDL number:
Form:
solid
Storage condition:
desiccated

$176.80


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Product Name

L-703,606 oxalate salt hydrate, solid

form

solid

Quality Segment

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)

Biochem/physiol Actions

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

Disclaimer

Hygroscopic

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solid

form

solid

form

solid

form

solid

form

solid

Quality Level

100

Quality Level

100

Quality Level

200

Quality Level

100

solubility

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

solubility

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: >10 mg/mL, H2O: 10 mg/mL, methanol: 28 mg/mL

solubility

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: >21 mg/mL

solubility

DMSO: >10 mg/mL, 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 20 mg/mL

storage condition

desiccated

storage condition

-

storage condition

-

storage condition

desiccated

color

white

color

white

color

white

color

white

Gene Information

human ... TACR1(6869)

Gene Information

human ... CCKAR(886)

Gene Information

human ... DRD2(1813), HTR2A(3356), HTR2B(3357), HTR2C(3358)

Gene Information

human ... ADORA2A(135), ADORA2B(136)


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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