3-(5-Nitro-2-thiophene)acrylic Acid Sulfadimidine Amide-[d4]

General Information
Catalog: BLP-006429
CAS: 1795138-17-8
Molecular Formula: C19H13D4N5O5S2
Molecular Weight: 463.52
Related CAS: 429622-48-0 (unlabelled)
Synonyms 3-(5-Nitro-2-thiophene)acrylic Acid-d4 Sulfadimidine Amide; (E)-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl-d4)-3-(5-nitrothiophene-2-yl)acrylamide; N-[4-[[(4,6-Dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl-d4]-3-(5-nitro-2-thienyl)-2-propenamide
IUPAC Name (E)-3-(5-nitrothiophen-2-yl)-N-[2,3,5,6-tetradeuterio-4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
Canonical SMILES CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-])C
InChI InChI=1S/C19H17N5O5S2/c1-12-11-13(2)21-19(20-12)23-31(28,29)16-7-3-14(4-8-16)22-17(25)9-5-15-6-10-18(30-15)24(26)27/h3-11H,1-2H3,(H,22,25)(H,20,21,23)/b9-5+/i3D,4D,7D,8D
InChI Key BQFCRZZSQUMLRS-SOUMXSKZSA-N
Melting Point 201-203°C (dec.)
Purity 98%
Solubility Sparingly soluble in Acetone; Soluble in DMSO
Appearance Orange Solid
Storage Store at 2-8°C

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