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08388

4-[3-(4-Benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

analytical standard

Synonym(s):

1-(2,3-Dihydro-7-methoxy-1,4-benzothiazepin-4(5H)-yl)-3-[4-(phenylmethyl)-1-piperidinyl]-1-propanone, JTV-519, K201

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About This Item

Empirical Formula (Hill Notation):
C25H32N2O2S
CAS Number:
145903-06-6
Molecular Weight:
424.60
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329748577
MDL number:
MFCD00935784
Beilstein/REAXYS Number:
10598851
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grade

analytical standard

Quality Segment

100

assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

application(s)

forensics and toxicology
pharmaceutical (small molecule)

format

neat

storage temp.

−20°C

SMILES string

O=C(N1CCSC2=CC=C(OC)C=C2C1)CCN3CCC(CC4=CC=CC=C4)CC3

InChI

1S/C25H32N2O2S/c1-29-23-7-8-24-22(18-23)19-27(15-16-30-24)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3

InChI key

KCWGETCFOVJEPI-UHFFFAOYSA-N

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302,H413

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 4

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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