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Product Overview

Product Code

TRC-B592800

CAS Number

3513-03-9

Product Format

Neat

Molecular Formula

C17 H26 N8 O5 . Cl H

Molecular Weight

458.90

API Family

Blasticidin S Hydrochloride

Product Categories

TRC, Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Fungicides and metabolites, Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical and Veterinary Residue Reference Materials

Product Type

Bioactive Small Molecule

Alternate CAS Number

Free base: 2079-00-7

Documentation

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Product Information

Chemical Data

Analyte Name

Blasticidin S Hydrochloride

CAS Number

3513-03-9

Molecular Formula

C17 H26 N8 O5 . Cl H

Molecular Weight

458.90

Accurate Mass

458.1793

SMILES

Cl.CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)C(=N)N

InChI

InChI=1S/C17H26N8O5.ClH/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29;/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29);1H/t9-,10-,13+,14-;/m0./s1

IUPAC

(2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride

Alternate CAS Number

Free base: 2079-00-7

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Blasticidin S Hydrochloride

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Blasticidin S Hydrochloride

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