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336483

Hydroquinidine 4-chlorobenzoate

98%

Synonym(s):

O-(4-Chlorobenzoyl)hydroquinidine, Dihydroquinidine 4-chlorobenzoate

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About This Item

Empirical Formula (Hill Notation):
C27H29ClN2O3
CAS Number:
113162-02-0
Molecular Weight:
464.98
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
24860385
MDL number:
MFCD00151148
Beilstein/REAXYS Number:
4302319
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assay

98%

optical activity

[α]26/D −73°, c = 1 in ethanol

mp

102-105 °C (lit.)

functional group

chloro, ester

SMILES string

CC[C@@H]1CN2CCC1CC2[C@@H](OC(=O)c3ccc(Cl)cc3)c4ccnc5ccc(OC)cc45

InChI

1S/C27H29ClN2O3/c1-3-17-16-30-13-11-19(17)14-25(30)26(33-27(31)18-4-6-20(28)7-5-18)22-10-12-29-24-9-8-21(32-2)15-23(22)24/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3/t17-,19+,25-,26+/m1/s1

InChI key

TXVNNFDXQZFMBQ-XHYUFEOFSA-N

Legal Information

Sold under license from Rhodia Pharma Solutions.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
76396LJV
MKBB9279
76396LJ
05502PV
28725CR

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Global Trade Item Number

SKUGTIN
336483-1G04061826262481
336483-5G04061832985596