Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Dihydro-alpha-ergocryptine mesylate
RN: 14271-05-7
UNII: Z4I7BU58DN
InChIKey: TZGKQIBPZOZAKF-PJLVGBPESA-N

Molecular Formula

  • C32-H43-N5-O5.C-H4-O3-S

Molecular Weight

  • 673.827
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Dihydro-alpha-ergocryptine mesylate

Synonyms

  • alpha-Dihydroergocryptine
  • CCRIS 6730
  • Dihydro-alpha-ergocryptine mesylate
  • EINECS 238-163-7
  • UNII-Z4I7BU58DN

Systematic Names

  • 9,10alpha-Dihydro-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate
  • alpha-Dihydroergocryptine
  • Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha,10alpha)-, monomethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 14271-05-7

FDA UNII

  • Z4I7BU58DN

System Generated Number

  • 0014271057

Molecular Formulas

Molecular Formula

  • C32-H43-N5-O5.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C32-H43-N5-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C32H43N5O5.CH4O3S/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t20-,22-,24-,25+,26+,31-,32+;/m1./s1

InChIKey

TZGKQIBPZOZAKF-PJLVGBPESA-N

Smiles

[nH]1cc2c3c1cccc3[C@@H]1[C@@H](C2)[N@@](C[C@@H](C1)C(N[C@@]1(C(C)C)C(=O)N2[C@H](C(N3CCC[C@@H]3[C@@]2(O)O1)=O)CC(C)C)=O)C.S(C)(O)(=O)=O