Dihydro Ergotamine-13C,d3 Mesylate
Product Code
TRC-D449082
CAS Number
Product Format
Neat
Molecular Formula
C33¹³CH38D3N5O8S
Molecular Weight
683.79
Product Categories
Agonist & antagonist analogues, Neurotransmitters, 5-HT receptors, Addiction, Alzheimer's, Memory, Learning and Cognition, Neurotransmission, Parkinson's, Schizophrenia, Pain and Inflammation, Stable isotopes, Stable Isotope Labelled Analytical Standards
Product Type
Stable Isotope LabelledAlternate CAS Number
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Dihydro Ergotamine-13C,d3 Mesylate
CAS Number
1356841-81-0
Molecular Formula
C33¹³CH38D3N5O8S
Molecular Weight
683.79
Accurate Mass
683.29
SMILES
CS(=O)(O)=O.[H][C@]1(C2C[C@@H](C([NH][C@H](C3=O)(C)O[C@H]4([OH])N3[C@@H2](CC5=CC=CC=C5)C(N6[C@@]4([H])CCC6)=O)=O)CN1[13C]([2H])([2H])[2H])CC7=CNC8=C7C2=CC=C8
InChI
InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23?,25-,26+,27+,32-,33+;/m1./s1/i2+1D3;
IUPAC
(6aR,9R)-N-((2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-(methyl-13C-d3)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide methanesulfonic acid
Alternate CAS Number
6190-39-2
SIL Type
Carbon, Deuterium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)
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