(2E)-2-[(5-Methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide (2Z)-2-butenedioate (1:1)

Basic Information

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CAS Number

189188-57-6

Molecular Formula

C20H27N5O5

Molecular Weight

417.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

180-183 ºC

Boiling Point

661.4°C at 760 mmHg

Density

Not available

Flash Point

Not available

Vapor Pressure

Not available

SMILES

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CCCCCN=C(N)NN=CC1=CNC2=C1C=C(C=C2)OC.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/C16H23N5O.C4H4O4/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;5-3(6)1-2-4(7)8/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21);1-2H,(H,5,6)(H,7,8)/b20-11+;2-1-

InChIKey

CPDDZSSEAVLMRY-FEQFWAPWSA-N

LogP

2.526370000000001

Topological Polar Surface Area

159.89 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Complexity

504

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 9 Class 9

Synonyms & References

English

Tegaserod maleate
HYDRAZINECARBOXIMIDAMIDE, 2-((5-METHOXY-1H-INDOL-3-YL)METHYLENE)-N-PENTYL-, (2E)-, (2Z)-2-BUTENEDIOATE (1:1)
HTF 919
REGID_for_CID_6918369
HMS1922N11
Pharmakon1600-01505215
TEGASEROD MALEATE [ORANGE BOOK]
TEGASEROD MALEATE [WHO-DD]
5-methoxyindol-3-carboxaldehyde amino(pentylamino)methylenehydrazone hydrogen maleate
DTXSID50904761
SR-05000001865-1
HY-14153A
Tegaserod maleate [USAN]
SCHEMBL27215
2-((5-Methoxy-1H-indol-3-yl)methylene)-N-pentylhydrazine-1-carboximidamide maleate
s5401
2-[(5-Methoxy-1H-indol-3-yl)methylene]-N-pentyl-hydrazinecarboximidamide maleate
SMR000471618
3-(5-Methoxy-1H-indol-3-ylmethylene)-N-pentylcarbazimidamide hydrogen maleate
HMS3886K04
HTF-919
SR-05000001865
D02730
AKOS024458253
NSC 760425
SDZ-HTF-919
CCG-40062
Hydrazinecarboximidamide, 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-, (2Z)-2-butenedioate (1:1)
SPECTRUM1505215
MLS001401406
UNII-E5XNT3RF5A

MDL Number

MFCD04116201

Customs Code

2933990090

FAQ

What is (2E)-2-[(5-Methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide (2Z)-2-butenedioate (1:1) (CAS: 189188-57-6)?

This compound is a complex organic molecule with the CAS number 189188-57-6. It contains a hydrazinecarboximidamide structure in combination with a 2-butenedioate derivative. It is characterized by its molecular structure and specific functional groups which give it unique chemical properties.

What are the main uses of (2E)-2-[(5-Methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide (2Z)-2-butenedioate (1:1) (CAS: 189188-57-6)?

This compound is primarily used in pharmaceutical research for developing potential therapeutic agents. It may also have applications in industrial chemistry and as a reagent in chemical synthesis.

Is (2E)-2-[(5-Methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide (2Z)-2-butenedioate (1:1) (CAS: 189188-57-6) safe?

This compound, while useful in research, should be handled with caution due to its chemical nature. Proper safety measures, including the use of protective equipment, are essential to avoid potential health risks. It is classified as a hazardous substance and should be stored and managed according to standard chemical safety protocols.

How should (2E)-2-[(5-Methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide (2Z)-2-butenedioate (1:1) (CAS: 189188-57-6) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent moisture and light exposure. Appropriate storage conditions include a temperature range of 15-25°C and a relative humidity below 50%. Storage in a fume hood or airtight cabinet is recommended for safety reasons.