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Substance Name: Bivalirudin [USAN:INN:BAN]
RN: 128270-60-0
UNII: TN9BEX005G
InChIKey: OIRCOABEOLEUMC-GEJPAHFPSA-N

Note

  • Designed to bind to the alpha-thrombin catalytic site and anion-binding exosite for fibrin(ogen) recognition.

Molecular Formula

  • C98-H138-N24-O33

Molecular Weight

  • 2180.3
 

Classification Codes

  • Anticoagulant
  • Anticoagulants
  • Antithrombins
  • Antithrombotic
  • Enzyme Inhibitors
  • Hematologic Agents
  • Protease Inhibitors
  • Serine Proteinase Inhibitors

Names and Synonyms

Name of Substance

  • Bivalirudin
  • Bivalirudin [USAN:INN:BAN]

Synonyms

  • Angiomax
  • Angiox
  • BG 8967
  • BG-8967
  • Bivalirudin
  • 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
  • Hirulog
  • UNII-TN9BEX005G

Systematic Name

  • L-Leucine, 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-

Superlist Name

  • BG8967

Registry Numbers

CAS Registry Number

  • 128270-60-0

FDA UNII

  • TN9BEX005G

System Generated Number

  • 0128270600

Structure Descriptors

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

Smiles

C([C@H]1N(CCC1)C([C@@H](Cc1ccccc1)N)=O)(=O)N[C@H](C(N1[C@H](C(=O)NCC(=O)NCC(NCC(=O)NCC(=O)N[C@H](C(NCC(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N2[C@@H](CCC2)C(=O)N[C@H](C(N[C@H](C(N[C@@H](Cc2ccc(O)cc2)C(N[C@@H](CC(C)C)C(=O)O)=O)=O)CCC(O)=O)=O)CCC(O)=O)[C@H](CC)C)=O)CCC(O)=O)=O)CCC(O)=O)=O)Cc2ccccc2)=O)CC(O)=O)=O)CC(=O)N)=O)CCC1)=O)CCCNC(N)=N