3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid | CAS No. 635-65-4

Basic Information

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CAS Number

635-65-4

Molecular Formula

C33H36N4O6

Molecular Weight

584.67 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Physical State

Orange powder

Melting Point

192 ºC

Boiling Point

925.2℃/760mmHg

Density

1.2163 (rough estimate)

Flash Point

513.3 °C

Solubility

aqueous acid: soluble

Refractive Index

1.6000 (estimate)

SMILES

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CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)C=C4C(=C(C(=O)N4)C=C)C

InChI

InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-

InChIKey

BPYKTIZUTYGOLE-IFADSCNNSA-N

LogP

4.531240000000003

Topological Polar Surface Area

164.37999999999997 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Complexity

1340

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

Stability

Stable. Refrigerate.

Sensitiveness

Light Sensitive

Synonyms & References

English

AI3-23078
NSC-26685
PHEOPHYTIN
Disodium 1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-2,17-divinyl-21H-biline-8,12-dipropionate
-(3-methyl-5-oxo-4-vinyl-1H-pyrrol-2(5H)
NS00014797
Bilirubin IXalpha
18422-02-1
-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-
Bilirubin, 98%
Bilirubin, purum, >=95.0% (UV)
pyrrol-2(5H)-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid
Bilirubin: 21H-Biline-8,12-dipropanoicacid,2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-,
(4z,15z)-bilirubin ix.alpha.
93891-87-3
3-[2-[[3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
NCGC00095645-01
3Q9
Bilirubin IX alpha
Bilibubin
UNII-RFM9X3LJ49
SCHEMBL19065
Bilirubin IX-alpha
Hemetoidin
Hematoidin
BDBM50442897
Disodium bilirubinate IXalpha
bilirubin
3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
GTPL4577
3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid

MDL Number

MFCD00005499

Customs Code

29339990

FAQ

What is 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid (CAS: 635-65-4)?

3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid (CAS: 635-65-4) is a complex organic compound containing multiple pyrrol rings, carboxyethyl, and vinyl groups. It exhibits structural features typical of synthetic intermediates, often used in pharmaceutical and materials science applications. The compound is soluble in organic solvents and has high molecular complexity, making it relevant for advanced chemical research.

What are the main uses of 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid (CAS: 635-65-4)?

This compound is primarily used in pharmaceutical research as an intermediate for synthesizing bioactive molecules. Its unique structure, featuring conjugated systems and functional groups, makes it valuable in drug development and materials science. Applications may include medicinal chemistry, polymer synthesis, and as a building block for compounds with potential therapeutic or industrial applications. Specific uses depend on further chemical modifications and functional group reactivity.

Is 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid (CAS: 635-65-4) safe?

As a chemical intermediate, this compound is generally considered safe when handled according to standard laboratory protocols. However, it requires proper protective measures, such as gloves, goggles, and ventilation, due to potential irritant properties. Safety data sheets (SDS) should be consulted for detailed toxicity information. It is not intended for consumption and must comply with OSHA and chemical safety standards for handling.

How should 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid (CAS: 635-65-4) be stored?

This compound should be stored in a cool, dry, and light-protected environment, ideally at 2-8°C. It requires airtight containers to prevent moisture exposure and degradation. Storage away from incompatible materials is essential to maintain stability. Always check the manufacturer's guidelines for specific container requirements and ensure proper labeling for safe handling and storage practices.