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5.04761

Sigma-Aldrich

CL316243 Hydrate - CAS 138908-40-4 - Calbiochem

Synonym(s):

CL 316,243 hydrate, Disodium 5-[(2R)-2-[[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate hydrate

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About This Item

Empirical Formula (Hill Notation):
C20H18ClNNa2O7 · xH2O
CAS Number:
138908-40-4
Molecular Weight:
465.79 (anhydrous basis)
MDL number:
MFCD19053158
UNSPSC Code:
51111800
NACRES:
NA.77

Quality Level

100

SMILES string

O.[Na+].[Na+].C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c3cccc(Cl)c3

InChI

1S/C20H20ClNO7.2Na.H2O/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27;;;/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27);;;1H2/q;2*+1;/p-2/t11-,15+;;;/m1.../s1

InChI key

BFEWLXURNRQQLY-BELDDISZSA-L

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Biochem/physiol Actions

CL 316,243 is a β3 adrenoceptor agonist; anti-obesity agent.

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