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Proglumetacin-[d4] Dioxalate

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General Information
Catalog: BLP-003892
CAS: 1346597-85-0
Molecular Formula: C48H56D4ClN5O12
Molecular Weight: 1028.53

Chemical Structure

Description	Proglumetacin-[d4] Dioxalate, is the labelled analogue of Proglumetacin, which is a nonsteroidal anti-inflammatory drug.
Synonyms	(+/-)-Proglumetacin-d4 Dioxalate; Proglumetacin-d4 Dioxalate
IUPAC Name	3-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-1,1,2,2-tetradeuterioethyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate;oxalic acid
Related CAS	57132-53-3 (unlabelled free base)
Canonical SMILES	CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CC1)CCOC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C)NC(=O)C5=CC=CC=C5.C(=O)(C(=O)O)O
InChI	InChI=1S/C46H58ClN5O8.C2H2O4/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35;3-1(4)2(5)6/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55);(H,3,4)(H,5,6)/i28D2,30D2;
InChI Key	PXDVAHRYYJUKDC-OHPGHNMMSA-N
Melting Point	189-191°C(dec.)
Purity	>98%
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Powder
Storage	Store at-20°C