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N4159

NCS-382 hydrate

solid, ≥98% (HPLC)

Synonym(s):

5,7,8,9-Tetrahydro-5-hydroxy-6H-benzocyclohepten-6-ylidene acetic acid monosodium salt hydrate

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About This Item

Empirical Formula (Hill Notation):
C13H13O3Na · xH2O
CAS Number:
1049743-38-5
Molecular Weight:
240.23 (anhydrous basis)
UNSPSC Code:
12352202
PubChem Substance ID:
24278588
MDL number:
MFCD11046018
Assay:
≥98% (HPLC)
Form:
solid
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Quality Segment

100

assay

≥98% (HPLC)

form

solid

color

white to off-white

solubility

H2O: 22 mg/mL

SMILES string

O.[Na+].OC1C(\CCCc2ccccc12)=C\C([O-])=O

InChI

1S/C13H14O3.Na.H2O/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16;;/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15);;1H2/q;+1;/p-1/b10-8+;;

InChI key

FCHWTCFJPQOCCJ-PIHABLKOSA-M

Biochem/physiol Actions

γ-Hydroxybutyrate (GHB) receptor antagonist; anti­convulsant.

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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