Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Briserin
RN: 55128-93-3
InChIKey: WJNSNWBQNIJBPS-QHUIZQASSA-M

Note

  • Contains dihydroergotoxine; reserpine; clopamide.

Molecular Formulas

  • C33-H40-N2-O9.C35-H41-N5-O5.C14-H20-Cl-N3-O3-S.C-H4-O3-S
  • C35-H41-N5-O5.C33-H40-N2-O9.C14-H20-Cl-N3-O3-S.C-H4-O3-S

Molecular Weight

  • 1661.37
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Briserin

Synonyms

  • Brinerdine
  • Briserin
  • Kristepin

Systematic Name

  • Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, mixt. with cis-3-(aminosulfanyl)-4-chloro-N-(2,6-dimethyl-1-piperidinyl)benzamide and (5'alpha,10alpha)-9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',8-trione methanesulfonate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 55128-93-3

System Generated Number

  • 0055128933

Molecular Formulas

Molecular Formulas

  • C33-H40-N2-O9.C35-H41-N5-O5.C14-H20-Cl-N3-O3-S.C-H4-O3-S
  • C35-H41-N5-O5.C33-H40-N2-O9.C14-H20-Cl-N3-O3-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C14-H20-Cl-N3-O3-S
  • C33-H40-N2-O9
  • C35-H41-N5-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C35H41N5O5.C33H40N2O9.C14H20ClN3O3S.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19;1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21);1H3,(H,2,3,4)/p-1/t23-,25-,27-,28+,29+,34-,35+;18-,22+,24-,27-,28+,31+;9-,10+;/m11../s1

InChIKey

WJNSNWBQNIJBPS-QHUIZQASSA-M

Smiles

[nH]1c2[C@H]3C[C@@H]4[C@@H]([C@@H](OC)[C@H](OC(c5cc(c(c(c5)OC)OC)OC)=O)C[C@@H]4C[N@@]3CCc2c2ccc(OC)cc12)C(=O)OC.CS(=O)(=O)[O-].C(c1cc(c(cc1)Cl)S(=O)(=O)N)(=O)NN1[C@@H](CCC[C@@H]1C)C.c1(ccccc1)C[C@@H]1N2C([C@@](O[C@@]2([C@@H]2CCCN2C1=O)O)(NC([C@H]1C[N@@]([C@@H]2Cc3c[nH]c4c3c(ccc4)[C@@H]2C1)C)=O)C(C)C)=O