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Substance Name: Bradykinin triacetate
RN: 5979-11-3
UNII: 6XS68K58Z5
InChIKey: GGIQAOBCVDFMSP-XFUQBTSGSA-N

Molecular Formula

  • C50-H73-N15-O11.3C2-H4-O2

Molecular Weight

  • 1240.3755
 
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Names and Synonyms

Name of Substance

  • Bradykinin triacetate

Synonyms

  • Bradykinin triacetate
  • EINECS 227-781-2
  • UNII-6XS68K58Z5

Systematic Name

  • Bradykinin, triacetate (salt)

Registry Numbers

CAS Registry Number

  • 5979-11-3

FDA UNII

  • 6XS68K58Z5

Related Registry Number

  • 58-82-2 (Parent)

System Generated Number

  • 0005979113

Molecular Formulas

Molecular Formula

  • C50-H73-N15-O11.3C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C50-H73-N15-O11
  • COMPONENT

Structure Descriptors

InChI

1S/C50H73N15O11.3C2H4O2/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55;3*1-2(3)4/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57);3*1H3,(H,3,4)/t32-,33-,34-,35-,36-,37-,38-,39-;;;/m0.../s1

InChIKey

GGIQAOBCVDFMSP-XFUQBTSGSA-N

Smiles

CC(=O)O.CC(=O)O.CC(=O)O.N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O