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Metergotamine structure, CAS 22336-84-1

Metergotamine

CAS Number22336-84-1

SynonymsMetergotaminum; 1-Methylergotamine; 1-Methylergotamin; Metergotamina

Molecular FormulaC34H37N5O5

Molecular Weight595.68800

Purity98.00%

Density1.48g/cm3

Boiling Point909.1ºC at 760mmHg

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Flash Point

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Cat. No.: 2A-9011367 Purity: 98.00%
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Quality Control of [ 22336-84-1 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number22336-84-1
Catalog No.2A-9011367
Chinese NameMetergotamine
SynonymsMetergotaminum; 1-Methylergotamine; 1-Methylergotamin; Metergotamina
Molecular FormulaC34H37N5O5
Molecular Weight595.68800
Purity98.00
Density1.48g/cm3
Boiling Point909.1ºC at 760mmHg
SMILESCN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C=C2c3cccc4c3c(cn4C)CC21
InChIInChI=1S/C34H37N5O5/c1-33(32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33)35-30(40)22-16-24-23-11-7-12-25-29(23)21(18-36(25)2)17-26(24)37(3)19-22/h4-7,9-12,16,18,22,26-28,43H,8,13-15,17,19H2,1-3H3,(H,35,40)/t22-,26-,27+,28+,33-,34+/m1/s1
InChI KeySZUQJDJBJHBVBO-CTTKVJGISA-N
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