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Substance Name: Dihydroergocristine mesylate
RN: 24730-10-7
UNII: DS7CL18UAM
InChIKey: SPXACGZWWVIDGR-SPZWACKZSA-N

Molecular Formula

  • C35-H41-N5-O5.C-H4-O3-S

Molecular Weight

  • 707.8445
 
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Names and Synonyms

Results Name

  • Dihydroergocristine mesylate

Name of Substance

  • Dihydroergocristine mesylate

Synonyms

  • 9,10-Dihydroergocristine methanesulfonate
  • Dihydroergocristine mesylate
  • Dihydroergocristinmesilat
  • Dihydroergocristinmesilat [German]
  • EINECS 246-434-6
  • Ergocristine, 9,10-dihydro-, monomethanesulfonate (salt)
  • Ergocristine, dihydro-, methanesulfonate
  • UNII-DS7CL18UAM

Systematic Names

  • 5'alpha-Benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate
  • Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,10alpha)-, monomethanesulfonate (salt)
  • Ergotamane-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'-alpha,10-alpha)-, monomethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 24730-10-7

FDA UNII

  • DS7CL18UAM

Other Registry Numbers

  • 22288-21-7
  • 25377-54-2
  • 27400-83-5
  • 29261-92-5

System Generated Number

  • 0024730107

Molecular Formulas

Molecular Formula

  • C35-H41-N5-O5.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C35-H41-N5-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C35H41N5O5.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;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;/m1./s1

InChIKey

SPXACGZWWVIDGR-SPZWACKZSA-N

Smiles

CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 50mg/kg (50mg/kg) BEHAVIORAL: EXCITEMENT

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: TREMOR
Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 1381, 1992.
dog LD50 oral > 1250mg/kg (1250mg/kg) BEHAVIORAL: EXCITEMENT

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: TREMOR
Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 1381, 1992.
mouse LD50 intraperitoneal 120mg/kg (120mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

BEHAVIORAL: GENERAL ANESTHETIC
Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 1381, 1992.
mouse LD50 intravenous 70mg/kg (70mg/kg)   United States Patent Document. Vol. #4176182,
mouse LD50 oral > 2500mg/kg (2500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: TREMOR
Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 1381, 1992.
rat LD50 intraperitoneal 585mg/kg (585mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 1381, 1992.
rat LD50 intravenous 91mg/kg (91mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: TREMOR
Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 1381, 1992.
rat LD50 oral 2643mg/kg (2643mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 1381, 1992.