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Product Overview

Product Code

TRC-S789490

CAS Number

83105-70-8

Product Format

Neat

Molecular Formula

C25 H30 N4 O9 S2 . C7 H8 O3 S

Molecular Weight

766.86

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

Sultamicillin tosilate

CAS Number

83105-70-8

Molecular Formula

C25 H30 N4 O9 S2 . C7 H8 O3 S

Molecular Weight

766.86

Accurate Mass

766.1648

SMILES

Cc1ccc(cc1)S(=O)(=O)O.CC2(C)S[C@@H]3[C@H](NC(=O)[C@H](N)c4ccccc4)C(=O)N3[C@H]2C(=O)OCOC(=O)[C@@H]5N6[C@@H](CC6=O)S(=O)(=O)C5(C)C

InChI

InChI=1S/C25H30N4O9S2.C7H8O3S/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31);2-5H,1H3,(H,8,9,10)/t14-,15-,16-,17+,18+,21-;/m1./s1

IUPAC

[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4?^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;4-methylbenzenesulfonic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Sultamicillin Tosylate

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