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Isepamicin disulfate
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Name

Isepamicin disulfate

 EINECS N/A
CAS No. 68000-78-2 Density N/A
PSA 463.68000 LogP -3.78570
Solubility N/A Melting Point N/A
Formula C22H43N5O12•2H2O4S Boiling Point 926.8°C at 760 mmHg
Molecular Weight 765.86 Flash Point 514.3°C
Transport Information N/A Appearance N/A
Safety A poison by intravenous route. Moderately toxic by intraperitoneal, subcutaneous, and intramuscular routes. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx. Risk Codes N/A
Molecular Structure Molecular Structure of 68000-78-2 (IsepamicinSulfate) Hazard Symbols Low toxicity by ingestion.
Synonyms

Isepamicin sulfate;

 

Isepamicin disulfate Chemical Properties

Empirical Formula of Isepamicin disulfate (CAS NO.68000-78-2): C22H47N5O20S2
Molecular Weight: 765.7601 g/mol
Flash Point: 514.3 °C
Enthalpy of Vaporization: 152.97 kJ/mol
Boiling Point: 926.8 °C at 760 mmHg
Structure of Isepamicin disulfate (CAS NO.68000-78-2):
                               
IUPAC Name: (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
Canonical SMILES: CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)NC(=O)C(CN)O)O.OS(=O)(=O)O.OS(=O)(=O)O
Isomeric SMILES: C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)NC(=O)[C@H](CN)O)O.OS(=O)(=O)O.OS(=O)(=O)O
InChI: InChI=1S/C22H43N5O12.2H2O4S/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21;2*1-5(2,3)4/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34);2*(H2,1,2,3,4)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-;;/m0../s1
InChIKey: KENHPEYNCGCZOF-XZWSBQPUSA-N

Isepamicin disulfate Toxicity Data With Reference

1.    

orl-rat LD50:>5 g/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),544.
2.    

ipr-rat LD50:1591 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),544.
3.    

scu-rat LD50:3392 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),544.
4.    

ivn-rat LD50:476 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),544.
5.    

ims-rat LD50:2111 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),544.
6.    

orl-mus LD50:>5 g/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),544.
7.    

ipr-mus LD50:2244 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),544.
8.    

scu-mus LD50:3321 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),544.
9.    

ivn-mus LD50:234 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),544.
10.    

ims-mus LD50:2508 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),544.

Isepamicin disulfate Safety Profile

A poison by intravenous route. Moderately toxic by intraperitoneal, subcutaneous, and intramuscular routes. Low toxicity by ingestion. When heated to decomposition Isepamicin disulfate (CAS NO.68000-78-2) emits toxic vapors of NOx and SOx.

Isepamicin disulfate Specification

 Isepamicin disulfate , its cas register number is 68000-78-2. It also can be called 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))-N(sup 1)-(3-amino-2-hydroxy-1-oxopropyl)-2-deoxy-, (S)-, sulfate (1:2) (salt) .

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