Streptomycin sulfate - PharmPure™, USP , CAS No.3810-74-0

CAS: 3810-74-0 Cat. No.: S274304 Formula: C₄₂H₈₄N₁₄O₃₆S₃ Molecular Weight: 1457.38 Beilstein Registry Number: 3894995 EC Number: 223-286-0 PubChem CID: 19648

GRADE & PURITY PharmPure™, USP

Synonyms

STREP SOL | STREPTOMYCIN SULFATE [GREEN BOOK] | D-STREPTAMINE, O-2-DEOXY-2-(METHYLAMINO)-alpha-L-GLUCOPYRANOSYL-(1->2)-O-5-DEOXY-3-C-FORMYL-alpha-L-LYXOFURANOSYL-(1->4)-N,N'-BIS(AMINOIMINOMETHYL)-, SULPHATE (2:3) (SALT) | Streptomycin A sulfate | CCRIS 59

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

STREP SOL | STREPTOMYCIN SULFATE [GREEN BOOK] | D-STREPTAMINE, O-2-DEOXY-2-(METHYLAMINO)-alpha-L-GLUCOPYRANOSYL-(1->2)-O-5-DEOXY-3-C-FORMYL-alpha-L-LYXOFURANOSYL-(1->4)-N,N'-BIS(AMINOIMINOMETHYL)-, SULPHATE (2:3) (SALT) | Streptomycin A sulfate | CCRIS 59

Specifications & Purity

PharmPure™, USP

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

PharmPure™, USP

Names and Identifiers

Pubchem Sid

508815405

Canonical Smiles

CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O.CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

IUPAC Name

2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;sulfuric acid

InChIKey

QTENRWWVYAAPBI-YCRXJPFRSA-N

INCHI

1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1

Isomeric SMILES

C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

WGK Germany

3

RTECS

WK4990000

Alternate CAS

57-92-1

PubChem CID

19648

Molecular Weight

1457.38

Beilstein

3894995

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides
            • Level7 Aminocyclitol glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides - Aminoglycosides
• Direct Parent: Aminocyclitol glycosides
• Alternative Parents: O-glycosyl compounds Cyclohexanols Cyclitols and derivatives Monosaccharides Organic sulfuric acids Oxanes Tetrahydrofurans Tertiary alcohols Guanidines 1,2-aminoalcohols Oxacyclic compounds Acetals Dialkylamines Carboximidamides Polyols Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Aldehydes Organic oxides Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Not available
• Substituents: Amino cyclitol glycoside - Glycosyl compound - O-glycosyl compound - Cyclohexanol - Sulfuric acid - Cyclitol or derivatives - Monosaccharide - Oxane - Cyclic alcohol - Organic sulfuric acid or derivatives - Tertiary alcohol - Tetrahydrofuran - Secondary alcohol - 1,2-aminoalcohol - Guanidine - Carboximidamide - Secondary amine - Secondary aliphatic amine - Polyol - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Acetal - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Primary alcohol - Alcohol - Hydrocarbon derivative - Aldehyde - Amine - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Salmonella paratyphi (588 Activities)

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Agrobacterium tumefaciens (620 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Micrococcus luteus (7463 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus haemolyticus (1695 Activities)

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Salmonella typhi (4293 Activities)

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Streptococcus mutans (2687 Activities)

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Bacillus subtilis (32866 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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Xanthomonas euvesicatoria (74 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: -85° (C=1,H2O)
• Melt Point(°C): 250 °C
• Molecular Weight: 1457.400 g/mol
• Hydrogen Bond Donor Count: 30
• Hydrogen Bond Acceptor Count: 42
• Rotatable Bond Count: 18
• Exact Mass: 1456.43 Da
• Monoisotopic Mass: 1456.43 Da
• Topological Polar Surface Area: 922.000 Ų
• Heavy Atom Count: 95
• Formal Charge: 0
• Complexity: 1020.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 30
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3