Basic information
- CAS
68000-78-2- Standard SMILES
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CN)OC[C@]1(C)O.O=S(=O)(O)O.O=S(=O)(O)O- InChIKey
KENHPEYNCGCZOF-XZWSBQPUSA-N- Molecular formula
- C22H47N5O20S2
- Average molar mass
- 765.8 g/mol
- Monoisotopic mass
- 765.22558125
Names & identifiers
- Preferred name
- Isepamicin disulfate
- IUPAC
- (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide;sulfuric acid
- English name
- IsepamicinSulfate
- Molecular formula
- C22H47N5O20S2
- Molecular weight
- 765.76008
Names & synonyms
Isepamicin disulfate68000-78-2U606Y00EWERefChem:148923UNII-U606Y00EWED-Streptamine, O-6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-N(sup 1)-(3-amino-2-hydroxy-1-oxopropyl)-2-deoxy-, (S)-, sulfate (1:2) (salt)DTXSID40987422Q27290732(2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxypropanimidic acid--sulfuric acid (1/2)3-Amino-N-(5-amino-4-[(6-amino-6-deoxyhexopyranosyl)oxy]-2-{[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyl]oxy}-3-hydroxycyclohexyl)-2-hydroxypropanimidic acid--sulfuric acid (1/2)D-STREPTAMINE, O-6-AMINO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-(3-DEOXY-4-C-METHYL-3-(METHYLAMINO)-.BETA.-L-ARABINOPYRANOSYL-(1->6))-N1-((2S)-3-AMINO-2-HYDROXY-1-OXOPROPYL)-2-DEOXY-, SULFATE (1:2) (SALT)
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 464 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 9
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 899
Physicochemical properties
- FDA UNII
- 606 Y00EWE · U606Y00EWE
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Suppliers2 total
ecochem international chemical broker[email protected]
kemikalieimport[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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