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Dihydrostreptomycin Sulfate

PubChem CID: 21653

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Compound Synonyms Dihydrostreptomycin sulfate, Didromycin, 5490-27-7, Didromycine, Panstreptin, DIHYDROSTREPTOMYCIN SESQUISULFATE, Dihydrostreptomycin sulphate, Dihydrostreptomyzinsulfat, Dihydrostreptomycin 3/2 sulfate, EINECS 226-823-7, UNII-T7D4876IUE, T7D4876IUE, Dihydrostreptomycin sequisulphate, Dihydrostreptomycinium sulfuricum, Dihydrostreptomycin sulfate (2:3)(salt), DTXSID6045824, AI3-50133, Dihydrostreptomycin Sulfate [USP], NSC-756739, DTXCID4025824, Dihydrostreptomycin sulfate (USP), DIHYDROSTREPTOMYCIN SULPHATE (2:3)(SALT), D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-, sulfate (2:3) (salt), 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-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine, sulfuric acid, D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1->2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1->4)-N1,N3-bis(aminoiminomethyl)-, sulfate (2:3), D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1.fwdarw.2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1.fwdarw.4)-N,N'-bis(aminoiminomethyl)-, sulfate (2:3) (salt), DIHYDROSTREPTOMYCIN SULFATE (MART.), DIHYDROSTREPTOMYCIN SULFATE [MART.], DIHYDROSTREPTOMYCIN SULFATE (USP-RS), DIHYDROSTREPTOMYCIN SULFATE [USP-RS], DIHYDROSTREPTOMYCIN SULFATE (USP MONOGRAPH), DIHYDROSTREPTOMYCIN SULFATE [USP MONOGRAPH], Sulfate, Dihydrostreptomycin, Pfizer-Strep, NCGC00094655-01, CAS-5490-27-7, CHEMBL3188576, Dihydrostreptomycin sulfate(2:3), CZWJCQXZZJHHRH-YCRXJPFRSA-N, C42H88N14O36S3, Tox21_111309, Dihydrostreptomycin sesquisulfate, EP, AKOS026750384, AKOS037515800, AD22045, AD175759, D-Streptamine, O-2-deoxy-2-(methylamino)-.alpha.-L-glucopyranosyl-(1.fwdarw.2)-O-5-deoxy-3-C-(hydroxymethyl)-.alpha.-L-lyxofuranosyl-(1.fwdarw.4)-N,N'-bis(aminoiminomethyl)-, sulfate (2:3) (salt), DA-62889, DIHYDROSTREPTOMYCIN SULFATE [WHO-DD], DIHYDROSTREPTOMYCIN SESQUISULFATE [MI], NS00076365, D02512, DIHYDROSTREPTOMYCIN SULFATE [GREEN BOOK], Q27289765, 1,1'-((1R,2R,3S,4R,5R,6S)-4-(((2R,3R,4R,5S)-3-(((2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-4-(hydroxymethyl)-5-methyltetrahydrofuran-2-yl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine sesquisulfate, 226-823-7, D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-, Sulfate(2:3)(salt), O-2-deoxy-2-(methylamino)-a-L-glucopyranosyl-(1?2)-O-5-deoxy-3-C-(hydroxymethyl)-a-L-lyxofuranosyl-(1?4)-N1,N3-bis(aminoiminomethyl) -D-streptamine sulfate, Didromycin, Didromycine
Topological Polar Surface Area 928.0
Hydrogen Bond Donor Count 32.0
Heavy Atom Count 95.0
Isotope Atom Count 0.0
Molecular Complexity 993.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 30.0
Uniprot Id Q9Y6L6, Q9NPD5
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-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine, sulfuric acid
Prediction Hob 0.0
Molecular Formula C42H88N14O36S3
Prediction Swissadme 0.0
Inchi Key CZWJCQXZZJHHRH-YCRXJPFRSA-N
Fcsp3 0.9047619047619048
Logs -0.989
Rotatable Bond Count 18.0
Logd -1.606
Compound Name Dihydrostreptomycin Sulfate
Prediction Hob Swissadme 0.0
Exact Mass 1460.46
Formal Charge 0.0
Monoisotopic Mass 1460.46
Hydrogen Bond Acceptor Count 42.0
Molecular Weight 1461.4
Covalent Unit Count 5.0
Total Atom Stereocenter Count 30.0
Total Bond Stereocenter Count 0.0
Esol 7.299440199999994
Inchi InChI=1S/2C21H41N7O12.3H2O4S/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*5-18,26,29-36H,3-4H2,1-2H3,(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
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)(CO)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)(CO)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Pinus Densiflora (Plant) Rel Props:Source_db:npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Pinus Massoniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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