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Penicillin G-[d5] Potassium Salt

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General Information
Catalog: BLP-003754
Molecular Formula: C16H12D5KN2O4S
Molecular Weight: 377.51

Chemical Structure

Description	Daclatasvir Diethyl Ester-[d10], is the labelled analogue of Daclatasvir Diethyl Ester, which is an impurity of Daclatasvir. Daclatasvir, inhibits the HCV protein NS5A, and can be used in combination with other medications to treat hepatitis C (HCV).
Synonyms	Penicillin G D5 Potassium Salt; Benzyl Penicillinate-d5 Potassium Salt
IUPAC Name	potassium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-(2,3,4,5,6-pentadeuteriophenyl)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Related CAS	113-98-4 (unlabelled)
Canonical SMILES	CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.[K+]
InChI	InChI=1S/C16H18N2O4S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1/i3D,4D,5D,6D,7D;
InChI Key	IYNDLOXRXUOGIU-XGACFNCLSA-M
Melting Point	173-176°C(dec.)
Purity	95% by CP; 98% atom D
Solubility	Soluble in DMSO, Methanol, Water
Appearance	White to Off-white Solid
Storage	Store at-20°C