Bivalirudin | CAS No. 128270-60-0

Bivalirudin

Basic Information

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CAS Number

128270-60-0

Molecular Formula

C98H138N24O33

Molecular Weight

2180.3 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C4CCCN4C(=O)C(CCCNC(=N)N)NC(=O)C5CCCN5C(=O)C(CC6=CC=CC=C6)N

InChI

InChI=1S/C98H138N24O33/c1-5-52(4)82(96(153)122-39-15-23-70(122)92(149)114-60(30-34-79(134)135)85(142)111-59(29-33-78(132)133)86(143)116-64(43-55-24-26-56(123)27-25-55)89(146)118-67(97(154)155)40-51(2)3)119-87(144)61(31-35-80(136)137)112-84(141)58(28-32-77(130)131)113-88(145)63(42-54-18-10-7-11-19-54)117-90(147)66(45-81(138)139)110-76(129)50-107-83(140)65(44-71(100)124)109-75(128)49-106-73(126)47-104-72(125)46-105-74(127)48-108-91(148)68-21-13-38-121(68)95(152)62(20-12-36-103-98(101)102)115-93(150)69-22-14-37-120(69)94(151)57(99)41-53-16-8-6-9-17-53/h6-11,16-19,24-27,51-52,57-70,82,123H,5,12-15,20-23,28-50,99H2,1-4H3,(H2,100,124)(H,104,125)(H,105,127)(H,106,126)(H,107,140)(H,108,148)(H,109,128)(H,110,129)(H,111,142)(H,112,141)(H,113,145)(H,114,149)(H,115,150)(H,116,143)(H,117,147)(H,118,146)(H,119,144)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,154,155)(H4,101,102,103)/t52-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,82-/m0/s1

InChIKey

OIRCOABEOLEUMC-GEJPAHFPSA-N

LogP

-8.11642999999994

Topological Polar Surface Area

901.5700000000002 Å²

Hydrogen Bond Donor/Acceptor

31 / 57

Complexity

4950

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

BG-8967
Angiomax RTU
UNII-TN9BEX005G
DTXCID4078338
DB00006
128270-60-0
AC-8916
D-Phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-L-leucine
bivalirudine
GTPL6470
BG8967
J-005587
B01AE06
Angiomax
Bivalirudin trifluoroacetate (H-DL-Phe-DL-Pro-DL-Arg-DL-Pro-Gly-Gly-Gly-Gly-DL-Asn-Gly-DL-Asp-DL-Phe-DL-Glu-DL-Glu-xiIle-DL-Pro-DL-Glu-DL-Glu-DL-Tyr-DL-Leu-OH.TFA)
bivalirudina
Q4919218
BIVALIRUDIN (MART.)
EX-A5843
1191386-55-6
Phe-Pro-Arg-Pro-(Gly)4 desulfato-Tyr63'-hirugen
BIVALIRUDIN IN 0.9% SODIUM CHLORIDE
BivalirudinRTU
Hirulog-1
BIVALIRUDIN (USP-RS)
CHEMBL2103749
Bivalirudin TFA
Angiox
BDBM50248103
SCHEMBL25739
Phe-Pro-Arg-Pro-(Gly)4-desulfohirudin-(53-64)

MDL Number

MFCD08282793

Customs Code

2942000000

FAQ

What is Bivalirudin (CAS: 128270-60-0)?

Bivalirudin (CAS: 128270-60-0) is a synthetic, non-peptide direct thrombin inhibitor used in medical applications. It has the molecular formula C12H17N5O7S and is known for its anticoagulant properties. Bivalirudin works by binding to the active site of thrombin, preventing blood clot formation. It is commonly used in clinical settings to manage thrombosis and is recognized for its safety profile in controlled environments.

What are the main uses of Bivalirudin (CAS: 128270-60-0)?

Bivalirudin (CAS: 128270-60-0) is primarily used in pharmaceuticals as an anticoagulant, especially during percutaneous coronary interventions (PCI) and in patients with heparin-induced thrombocytopenia (HIT). It is also employed in research for studying blood coagulation mechanisms and in industrial applications for developing thrombosis prevention products. Its versatility makes it a key compound in cardiovascular medicine.

Is Bivalirudin (CAS: 128270-60-0) safe?

Bivalirudin (CAS: 128270-60-0) is generally considered safe when used as directed in medical and research contexts. However, it should be handled with care, following standard safety protocols to avoid exposure. Precautions include wearing protective gloves and ensuring proper ventilation. Safety standards are in place to ensure its use is appropriate and controlled, minimizing risks to human health and the environment.

How should Bivalirudin (CAS: 128270-60-0) be stored?

Bivalirudin (CAS: 128270-60-0) should be stored in a cool, dry place away from direct light. It is typically kept in airtight containers to maintain stability and prevent contamination. Storage conditions should be maintained at a temperature between 2°C to 8°C and controlled humidity levels. Proper storage ensures the compound remains effective and safe for use over time.