Product Code

TRC-B687103

CAS Number

2109424-53-3

Product Format

Neat

Molecular Formula

C28H29ClN3O2S.HCl

Molecular Weight

526.52

Product Categories

TRC

Alternate CAS Number

364590-63-6

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Smoothened Agonist hydrochloride

CAS Number

2109424-53-3

Molecular Formula

C28H29ClN3O2S.HCl

Molecular Weight

526.52

Accurate Mass

525.14

SMILES

O=C(N(C1CCC(CC1)NC)CC2=CC=CC(C3=CC=NC=C3)=C2)C4=C(Cl)C5=C(C=CC=C5)S4.Cl

InChI

InChI=1S/C28H28ClN3OS.ClH/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20;/h2-8,13-17,22-23,30H,9-12,18H2,1H3;1H

IUPAC

3-chloro-N-(4-(methylamino)cyclohexyl)-N-(3-(pyridin-4-yl)benzyl)benzo[b]thiophene-2-carboxamide hydrochloride

Alternate CAS Number

364590-63-6

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Smoothened Agonist hydrochloride

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