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Product Overview

Product Code

TRC-S682365

CAS Number

68880-55-7

Product Format

Neat

Molecular Formula

C43H74N2O14 · C6H10O4

Molecular Weight

988.57

API Family

Spiramycin, Sulfamethoxazole

Product Categories

TRC, Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Pharmaceutical and Veterinary Residue Reference Materials , Antibiotics, Carbohydrates, Impurity Reference Materials , Macrolides, Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , API Reference Standards & Research Materials

Product Type

Impurity, API

Documentation

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Product Information

Chemical Data

Analyte Name

Spiramycin adipate base

CAS Number

68880-55-7

Molecular Formula

C43H74N2O14 · C6H10O4

Molecular Weight

988.57

Accurate Mass

988.57

SMILES

O=C1O[C@H](C)C/C=C/C=C/[C@H](OC2CC[C@H](N(C)C)[C@@H](C)O2)[C@H](C)C[C@H](CC=O)[C@H](O[C@H]3[C@H](O)[C@@H](N(C)C)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@](O)(C)C4)[C@@H](C)O3)[C@@H](OC)[C@H](O)C1.OC(CCCCC(O)=O)=O

InChI

InChI=1S/C43H74N2O14.C6H10O4/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34;7-5(8)3-1-2-4-6(9)10/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3;1-4H2,(H,7,8)(H,9,10)/b13-12+,16-14+;/t24?,25?,26?,27?,28?,29-,30-,31+,32-,34?,35-,36+,37+,38+,39-,40?,41-,42-,43?;/m0./s1

IUPAC

2-((4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-(((2S,3R,4R,5S,6R)-5-(((2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10-(((5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl)acetaldehyde adipate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Spiramycin; Sulfamethoxazole

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Product Overview

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Chemical Data

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Spiramycin Adipate

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