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Substance Name: Ergocristine, dihydro-, tartrate
RN: 102489-75-8
InChIKey: VFNAZVMEDXEDTB-IFBFGWFZSA-N

Molecular Weight

  • 761.8243
 
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Names and Synonyms

Synonym

  • Dihydroergocristine tartrate

Systematic Name

  • Ergocristine, dihydro-, tartrate

Registry Numbers

CAS Registry Number

  • 102489-75-8

System Generated Number

  • 0102489758

Structure Descriptors

InChI

1S/C35H41N5O5.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1-2,5-6H,(H,7,8)(H,9,10)/t23-,25?,27-,28+,29+,34-,35+;/m1./s1

InChIKey

VFNAZVMEDXEDTB-IFBFGWFZSA-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]5CC6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C.C(C(C(=O)O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intravenous 27mg/kg (27mg/kg)   Bulletin der Schweizerischen Akademie der Medizinischen Wissenschaften. Vol. 2, Pg. 1, 1946/1947.