Ergometrine Maleate
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Product Overview
Product Code
LGCFOR1385.00
CAS Number
Product Format
Neat
Molecular Formula
C19 H23 N3 O2 . C4 H4 O4
Molecular Weight
441.48
Product Categories
Additional Toxicology Reference Materials , LoGiCal, Pharmaceutical Toxicology Reference Materials
Product Type
APIDocumentation
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Product Information
Analyte Data
Analyte Name
Ergometrine Maleate
CAS Number
129-51-1
Molecular Formula
C19 H23 N3 O2 . C4 H4 O4
Molecular Weight
441.48
Accurate Mass
441.19
SMILES
C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34.OC(=O)\C=C/C(=O)O
InChI
InChI=1S/C19H23N3O2.C4H4O4/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;5-3(6)1-2-4(7)8/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;2-1-/t11-,13+,17+;/m0./s1
IUPAC
(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
Product Data
Storage Temperature
+5°C
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Tariff Code
29396100
Product Format
Neat