Streptomycin

C₂₁H₃₉N₇O₁₂CAS 57-92-1581.58 g/mol

Open in Covalent MOL file

Acetal Alcohol Aldehyde Ether Guanidine Secondary amine

Properties

Molecular formula: C₂₁H₃₉N₇O₁₂
Molar mass: 581.58 g/mol
Exact mass: 581.2657 Da
Melting point: 194 °C
Water solubility: soluble
logP: -7.74Crippen estimate
Polar surface area: 331.4 Å²
H-bond donors / acceptors: 14 / 15
Rotatable bonds: 9
Stereocentres: S, S, R, R, R, R, S, R, R, S, S, R, S, R, Sin SMILES atom order

Hazards

Warning

H351 Suspected of causing cancer34.9% of notifiers
H361 Suspected of damaging fertility or the unborn child99.1% of notifiers

Aggregated from 109 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

57-92-1

SMILES

CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O

InChIKey

UCSJYZPVAKXKNQ-HZYVHMACSA-N

InChI

InChI=1S/C21H39N7O12/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/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

D-Streptamine, O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-
D-Streptamine, O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N,N′-bis(aminoiminomethyl)-
O-2-Deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-D-streptamine
NSC 14083
2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-α-glucopyranosyl)-3-formylpentofuranoside
Streptomycin A
Agrimycin
Neodiestreptopab
Agrept

Work with Streptomycin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Streptomycin sulfate3810-74-0Salt

Similar compounds

Dihydrostreptomycin128-46-174 % similar D-Streptamine, O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-(hydroxymethyl)-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-, sulfate (1:?)1425-61-269 % similar Dihydrostreptomycin sulfate5490-27-769 % similar Methyl-2-acetamido-2-deoxy-D-glucopyranoside6082-04-832 % similar Apramycin37321-09-832 % similar Apramycin41194-16-532 % similar Apramycin sulfate65710-07-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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