Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
General Information |
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Catalog: BLP-005152 |
CAS: 1356841-81-0 |
Molecular Formula: C33[13C]H38D3N5O8S |
Molecular Weight: 683.79 |
Chemical Structure |
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Description | Dihydroergotamine-[13C,d3] Mesylate is a deuterium labelled form of Dihydroergotamine Mesylate. The mesylate salt form of Dihydroergotamine, which has been found to be a partial α-adrenergic agonist and could be used as an antimigraine agent. |
Synonyms | Dihydroergotamine 13C D3 Mesylate |
IUPAC Name | (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-(trideuterio(1-13C)methyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid |
Related CAS | 6190-39-2 (unlabelled) |
Canonical SMILES | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O |
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; |
InChI Key | ADYPXRFPBQGGAH-UXFLAZELSA-N |
Melting Point | 189-191°C |
Purity | 95% by CP; 99% atom D; 99% atom 13C |
Solubility | Soluble in DMSO, Methanol |
Appearance | White to Off-white Solid |
Storage | Store at -20°C, Under inert atmosphere |
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