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Technical details about Mitapivat, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Ag-348 sulfate hydrate, Mitapivat sulfate [usan], N4jta67v3o, Pyrukynd, Ag-348 hemisulfate sesquihydrate, Mitapivat sulfate (usan)
Molecular Formula
C48H60N8O13S3
Molecular Weight
1053.2  g/mol
InChI Key
DMRIPASJCJRBMV-UHFFFAOYSA-N
FDA UNII
N4JTA67V3O

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;sulfuric acid;trihydrate
2.1.2 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
2.1.3 InChI Key
DMRIPASJCJRBMV-UHFFFAOYSA-N
2.1.4 Canonical 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
2.2 Other Identifiers
2.2.1 UNII
N4JTA67V3O
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 8-quinolinesulfonamide, N-(4-((4-(cyclopropylmethyl)-1-piperazinyl)carbonyl)phenyl)-

2. Ag-348

3. Mitapivat

4. Mitapivat Hemisulfate Sesquihydrate

5. N-(4-((4-(cyclopropylmethyl)-1-piperazinyl)carbonyl)phenyl)-8-quinolinesulfonamide

6. N-(4-(4-(cyclopropylmethyl)piperazine-1-carbonyl)phenyl)quinoline-8-sulfonamide

7. Pyrukynd

2.3.2 Depositor-Supplied Synonyms

1. Ag-348 Sulfate Hydrate

2. Mitapivat Sulfate [usan]

3. N4jta67v3o

4. Pyrukynd

5. Ag-348 Hemisulfate Sesquihydrate

6. Mitapivat Sulfate (usan)

7. 2151847-10-6

8. 8-quinolinesulfonamide, N-(4-((4-(cyclopropylmethyl)-1-piperazinyl)carbonyl)phenyl)-, Sulfate, Hydrate (2:1:3)

9. N-(4-(4-(cyclopropylmethyl)piperazine-1-carbonyl)phenyl)quinoline-8-sulfonamide Sulfate Hydrate (2:1:3)

10. Unii-n4jta67v3o

11. Chembl4297223

12. Mitapivat Hemisulfate Sesquihydrate

13. D11408

2.4 Create Date
2018-08-12
3 Chemical and Physical Properties
Molecular Weight 1053.2 g/mol
Molecular Formula C48H60N8O13S3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count19
Rotatable Bond Count12
Exact Mass1052.34419752 g/mol
Monoisotopic Mass1052.34419752 g/mol
Topological Polar Surface Area268 Ų
Heavy Atom Count72
Formal Charge0
Complexity831
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count6
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Enzyme Activators

Compounds or factors that act on a specific enzyme to increase its activity. (See all compounds classified as Enzyme Activators.)


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