Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Chlorthalidone mixture with reserpine
RN: 8058-25-1
InChIKey: QUKQHGBTKWBMAR-BQTSRIDJSA-N

Note

  • Used in therapy of hypertension.

Molecular Formula

  • C33-H40-N2-O9.C14-H11-Cl-N2-O4-S

Molecular Weight

  • 947.4539
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Chlorthalidone mixture with reserpine

Name of Substance

  • Regroton

Systematic Name

  • Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, mixt. with 2-chloro-5-(2,3-dihydro-1-hydroxy-3-oxo-1H-isoindol-1-yl)benzenesulfonamide

Registry Numbers

CAS Registry Number

  • 8058-25-1

System Generated Number

  • 0008058251

Molecular Formulas

Molecular Formula

  • C33-H40-N2-O9.C14-H11-Cl-N2-O4-S

Molecular Formula Fragments

  • C14-H11-Cl-N2-O4-S
  • C33-H40-N2-O9
  • COMPONENT

Structure Descriptors

InChI

1S/C33H40N2O9.C14H11ClN2O4S/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(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;15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;1-7,19H,(H,17,18)(H2,16,20,21)/t18-,22+,24-,27-,28+,31+;/m1./s1

InChIKey

QUKQHGBTKWBMAR-BQTSRIDJSA-N

Smiles

COc1ccc2c(c1)[nH]c3c2CCN4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC.c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)S(=O)(=O)N)Cl)O