Bendamustine USP Related Compound C

Basic Information

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CAS Number

3543-74-6

Molecular Formula

C18H27N3O4

Molecular Weight

349.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Physical State

Powder

Melting Point

98-111°C

Boiling Point

580.6°C at 760 mmHg

Density

1.21

Flash Point

305°C

Refractive Index

1.572

Vapor Pressure

0.0±1.7 mmHg at 25°C

SMILES

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CCOC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)N(CCO)CCO

InChI

InChI=1S/C18H27N3O4/c1-3-25-18(24)6-4-5-17-19-15-13-14(7-8-16(15)20(17)2)21(9-11-22)10-12-23/h7-8,13,22-23H,3-6,9-12H2,1-2H3

InChIKey

SJYOJVBTSZGDQH-UHFFFAOYSA-N

LogP

1.2500999999999995

Topological Polar Surface Area

87.82000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

404

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

Synonyms & References

English

Ethyl 4-(5-(bis(2-hydroxyethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate
BCP06804
MFCD09840918
AS-19143
FT-0671562
5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
3543-74-6
AUL5NUY9I0
[1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester
4-{5-[bis-(2-hydroxy-ethyl)-amino]-1-methyl-1H-benzimidazol-2-yl}-butyric acid ethyl ester
AKOS015917969
1-methyl-5-BIS(2-HYDROXYethyl)AMINOBENZIMIDAZOLYL-2-BUTANOIC ethyl ESTER
A851849
Ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2-yl]butanoate
5-(Bis(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
1H-Benzimidazole-2-butanoic acid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, ethyl ester
F15054
CS-0137734
2-NITRO-4-METHOXYCARBONYLBENZOICACID
Ethyl4-(5-(bis(2-hydroxyethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate
ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
4-(5-(Bis(2-hydroxyethyl)amino)-1-methylbenzimidazol-2-yl)butanoic acid ethyl ester
1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester
4-[5-[Bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid ethyl ester
Ethyl 4-{5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoate
AC-6923
DTXSID00517744
Ethyl 5-(bis(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazole-2-butanoate
AM20090667
UNII-AUL5NUY9I0
1H-Benzimidazole-2-butanoicacid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, ethyl ester

MDL Number

MFCD09840918

FAQ

What are the physical and chemical properties of Bendamustine USP Related Compound C (CAS: 3543-74-6)?

Bendamustine USP Related Compound C (CAS: 3543-74-6) is a crystalline compound with a molecular weight of approximately 412.24 g/mol. It is sparingly soluble in water and ethanol, and has minimal reactivity under normal conditions. This compound is primarily used in pharmaceutical applications and has a melting point of 160-162°C.

How is Bendamustine USP Related Compound C (CAS: 3543-74-6) typically synthesized?

Bendamustine USP Related Compound C (CAS: 3543-74-6) is synthesized via a multi-step process involving the condensation of 4-chlorobenzoic acid and 2-chloro-1,3-dimethyl-2,3-dihydro-1H-indol-3-one, followed by esterification and cyclization. This synthesis typically uses catalytic amounts of acetic anhydride and a dehydrating agent like phosphorus oxychloride, with high selectivity and yield.

What industries use Bendamustine USP Related Compound C (CAS: 3543-74-6)?

Bendamustine USP Related Compound C (CAS: 3543-74-6) is primarily used in the pharmaceutical industry for the manufacturing of anticancer drugs. It is also utilized in research and development within the biotechnology sector for studying cancer mechanisms and developing new therapeutic strategies.

What precautions should be taken when handling Bendamustine USP Related Compound C (CAS: 3543-74-6)?

When handling Bendamustine USP Related Compound C (CAS: 3543-74-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure adequate ventilation by working in a fume hood. Spills should be cleaned up according to the Material Safety Data Sheet (MSDS). Storage should be in a cool, dry place away from direct sunlight.