API0232980

Mitapivat Sulfate

Misoprostol is used for gastric ulcers or induction of labor.

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Molecular Weight (g/mol)

1053.2
Molecular Formula

C48H60N8O13S3
InChI

InChI=1S/2C24H26N4O3S.H2O4S.3H2O/c2*29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22;1-5(2,3)4;;;/h2*1-5,8-12,18,26H,6-7,13-17H2;(H2,1,2,3,4);3*1H2
InChIKey

DMRIPASJCJRBMV-UHFFFAOYSA-N
SMILES

C1CC1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5.C1CC1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5.O.O.O.OS(=O)(=O)O
IUPAC Name

N-[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;sulfuric acid;trihydrate
Exact Mass (Da)

1052.34419752
Monoisotopic Mass (Da)

1052.34419752

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