Streptomycin

Synopsis, Chemistry

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Also known as: Akos015961352, Ac-13559

Molecular Formula

C₂₁H₄₁N₇O₁₆S

Molecular Weight

679.7 g/mol

InChI Key

CFCMMYICHMLDCC-ZSUPRIELSA-N

1 2D Structure

Streptomycin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2S,3S,4S,5R)-3-[(2R,3R,4R,5S,6R)-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

2.1.2 InChI

InChI=1S/C21H39N7O12.H2O4S/c1-5-21(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;1-5(2,3)4/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);(H2,1,2,3,4)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+;/m1./s1

2.1.3 InChI Key

CFCMMYICHMLDCC-ZSUPRIELSA-N

2.1.4 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.OS(=O)(=O)O

2.1.5 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.OS(=O)(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Akos015961352

2. Ac-13559

2.3 Create Date

2010-01-26

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₄₁N₇O₁₆S
Molecular Weight	679.7 g/mol
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	9
Exact Mass	679.23304942 g/mol
Monoisotopic Mass	679.23304942 g/mol
Topological Polar Surface Area	419 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1020
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Streptomycin sulfate
Drug Label	Streptomycin is a water-soluble aminoglycoside derived from Streptomyces griseus. It is marketed as the sulfate salt of streptomycin. The chemical name of streptomycin sulfate is D-Streptamine, O-2-deoxy-2-(methylamino)--L-glucopyranosyl-(12)-O-...
Active Ingredient	Streptomycin sulfate
Dosage Form	Injectable
Route	Injection
Strength	eq 1gm base/vial
Market Status	Prescription
Company	X Gen Pharms

2 of 2
Drug Name	Streptomycin sulfate
Drug Label	Streptomycin is a water-soluble aminoglycoside derived from Streptomyces griseus. It is marketed as the sulfate salt of streptomycin. The chemical name of streptomycin sulfate is D-Streptamine, O-2-deoxy-2-(methylamino)--L-glucopyranosyl-(12)-O-...
Active Ingredient	Streptomycin sulfate
Dosage Form	Injectable
Route	Injection
Strength	eq 1gm base/vial
Market Status	Prescription
Company	X Gen Pharms