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Basic Information
CAS No.: 78822-08-9
Name: KASUGAMYCIN SULFATE)
Molecular Structure:
Molecular Structure of 78822-08-9 (KASUGAMYCIN SULFATE))
Formula: C14H25N3O9•H2O4S
Molecular Weight: 477.50
Synonyms: kasugamycin hemisulfate
Melting Point: 242oC (dec)
Boiling Point: 628.2°C at 760 mmHg
Flash Point: 333.7°C
Safety: Mildly toxic by ingestion and several other routes. When heated to decomposition it emits very toxic fumes of SOx and NOx. See also KASUGAMYCIN; KASUGAMYCIN HYDROCHLORIDE; KASUGAMYCIN PHOSPHATE.
PSA: 520.60000
LogP: -5.84620
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Chemistry

Empirical Formula of Kasugamycin sulfate (CAS NO.78822-08-9): C28H52N6O22S
Molecular Weight: 856.8045 g/mol
Flash Point: 333.7 °C
Enthalpy of Vaporization: 106.54 kJ/mol
Boiling Point: 628.2 °C at 760 mmHg
Vapour Pressure: 2.04E-18 mmHg at 25 °C
Structure of Kasugamycin sulfate (CAS NO.78822-08-9):
                      
IUPAC Name: 2-Amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid ; Sulfuric acid
Canonical SMILES: CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N.CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N.OS(=O)(=O)O
Isomeric SMILES: C[C@@H]1[C@H](C[C@@H]([C@H](O1)OC2[C@@H]([C@H](C([C@@H]([C@@H]2O)O)O)O)O)N)N=C(C(=O)O)N.C[C@@H]1[C@H](C[C@@H]([C@H](O1)OC2[C@@H]([C@H](C([C@@H]([C@@H]2O)O)O)O)O)N)N=C(C(=O)O)N.OS(=O)(=O)O
InChI: InChI=1S/2C14H25N3O9.H2O4S/c2*1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;1-5(2,3)4/h2*3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);(H2,1,2,3,4)/t2*3-,4+,5+,6?,7+,8+,9-,10+,11?,14-;/m11./s1
InChIKey: NAPCRKAUXHXHCU-JLNGJXGCSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:22 g/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.
2.    

ipr-rat LD50:12 g/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.
3.    

scu-rat LD50:15,500 mg/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.
4.    

ivn-rat LD50:4900 mg/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.
5.    

orl-mus LD50:20,700 mg/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.
6.    

ipr-mus LD50:10 g/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.
7.    

scu-mus LD50:12 g/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.
8.    

ivn-mus LD50:5500 mg/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.
9.    

scu-dog LD50:10,500 mg/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.
10.    

ivn-dog LD50:4500 mg/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.
11.    

scu-rbt LDL

Safety Profile

Mildly toxic by ingestion and several other routes. When heated to decomposition Kasugamycin sulfate (CAS NO.78822-08-9) emits very toxic fumes of SOx and NOx. See also KASUGAMYCIN; KASUGAMYCIN HYDROCHLORIDE; KASUGAMYCIN PHOSPHATE.

Specification

 Kasugamycin sulfate , its cas register number is 78822-08-9. It also can be called D-chiro-Inositol, 3-O-(2-amino-4-((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranosyl)-, sulfate (1:1) (salt) .