Butanedioic acid, compd. with (R)-2,3,4,9-tetrahydro-3-(methylamino)-1H-carbazole-6-carboxamide, hydrate (1:1:1)

Basic Information

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CAS Number

158930-17-7

Molecular Formula

C18H25N3O6

Molecular Weight

379.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

150-153°C

SMILES

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CNC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N.C(CC(=O)O)C(=O)O.O

InChI

InChI=1S/C14H17N3O.C4H6O4.H2O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13;5-3(6)1-2-4(7)8;/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18);1-2H2,(H,5,6)(H,7,8);1H2/t9-;;/m1../s1

InChIKey

CUETXFMONOSVJA-KLQYNRQASA-N

LogP

0.4546000000000006

Topological Polar Surface Area

177.01 Å²

Hydrogen Bond Donor/Acceptor

8 / 9

Complexity

426

Synonyms & References

English

J-009548
Q27276007
D28J6W18HY
Frovatriptan Succinate monohydrate
(+)-(R)-2,3,4,9-Tetrahydro-3-(methylamino)-1H-carbazole-6-carboxamide butanedioate (1:1), monohydrate
Frova (TN)
CHEMBL2138684
Frovatriptan succinate monohydrate, >=97% (HPLC)
158930-17-7
DTXSID2049056
VML 251
Frovatriptan succinate, United States Pharmacopeia (USP) Reference Standard
butanedioic acid;(6R)-6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrate
DTXCID7028982
Frovatriptan succinate (USAN)
AKOS030241886
CS-0021309
CAS-158930-17-7
FROVATRIPTAN SUCCINATE MONOHYDRATE [WHO-DD]
SB 209509-AX
FROVATRIPTAN SUCCINATE [ORANGE BOOK]
MS-26200
NCGC00183880-01
Tox21_113606
Frovelan
(R)-3-(Methylamino)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide succinate hydrate
Frovatriptan (succinate hydrate)
(+)-(R)-5,6,7,8-Tetrahydro-6-(methylamino)carbazole-3-carboxamide succinate (1:1), monohydrate
SCHEMBL2321442
FROVATRIPTAN SUCCINATE MONOHYDRATE [MI]
D04264

MDL Number

MFCD18251278

FAQ

What are the physical and chemical properties of Butanedioic acid, compd. with (R)-2,3,4,9-tetrahydro-3-(methylamino)-1H-carbazole-6-carboxamide, hydrate (1:1:1) (CAS: 158930-17-7)?

Butanedioic acid, compd. with (R)-2,3,4,9-tetrahydro-3-(methylamino)-1H-carbazole-6-carboxamide, hydrate (1:1:1) (CAS: 158930-17-7) is a crystalline compound with a molecular weight of approximately 428.48 g/mol. It has a melting point around 205-207°C and is slightly soluble in water. This compound is relatively stable and shows limited reactivity, particularly in acidic or basic conditions. It is not flammable or explosive.

How is Butanedioic acid, compd. with (R)-2,3,4,9-tetrahydro-3-(methylamino)-1H-carbazole-6-carboxamide, hydrate (1:1:1) (CAS: 158930-17-7) typically synthesized?

Butanedioic acid, compd. with (R)-2,3,4,9-tetrahydro-3-(methylamino)-1H-carbazole-6-carboxamide, hydrate (1:1:1) (CAS: 158930-17-7) is synthesized through a multi-step reaction involving the condensation of butanedioic acid with (R)-2,3,4,9-tetrahydro-3-(methylamino)-1H-carbazole-6-carboxamide. This process typically requires a catalyst and is performed under mild conditions to achieve high selectivity and yield. The hydrate form is obtained by adding water during the synthesis process.

What industries use Butanedioic acid, compd. with (R)-2,3,4,9-tetrahydro-3-(methylamino)-1H-carbazole-6-carboxamide, hydrate (1:1:1) (CAS: 158930-17-7)?

Butanedioic acid, compd. with (R)-2,3,4,9-tetrahydro-3-(methylamino)-1H-carbazole-6-carboxamide, hydrate (1:1:1) (CAS: 158930-17-7) is primarily used in the pharmaceutical industry for the development of novel drugs. It also finds applications in the synthesis of advanced materials, particularly in the production of polymers and sensors. This compound's unique structure makes it suitable for use in semiconductor technology as well.

What precautions should be taken when handling Butanedioic acid, compd. with (R)-2,3,4,9-tetrahydro-3-(methylamino)-1H-carbazole-6-carboxamide, hydrate (1:1:1) (CAS: 158930-17-7)?

When handling Butanedioic acid, compd. with (R)-2,3,4,9-tetrahydro-3-(methylamino)-1H-carbazole-6-carboxamide, hydrate (1:1:1) (CAS: 158930-17-7), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight and ensure proper ventilation. In case of a spill, clean up immediately using appropriate tools and materials, and consult the Safety Data Sheet (SDS) for detailed instructions.