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| CAS No.: | 15493-35-3 |
|---|---|
| Name: | streptomycin calcium chloride (1:1) |
| Molecular Structure: | |
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|
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| Formula: | C21H39N7O12•CaCl2 |
| Molecular Weight: | 692.65 |
| Synonyms: | Calcium chloride with streptomycin (1:1);STREPTOMYCIN compounded with CALCIUM CHLORIDE (1:1);calcium 2-[(1S,2R,3S,4S,5R,6S)-5-(diaminomethylideneamino)-2-[(2S,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyl-oxolan-2-yl]oxy-3,4,6-trihydroxy-cyclohexyl]guanidine dichloride;Streptomycin, compd. with calcium chloride (1:1); |
| Boiling Point: | 948.2°Cat760mmHg |
| Flash Point: | 527.3°C |
| Safety: | Poison by ingestion and intravenous routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also STREPTOMYCIN. |
| PSA: | 331.43000 |
| LogP: | -10.96100 |
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Chemistry
IUPAC Name: Calcium 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-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine dichloride
Molecular Formula: C21H39N7O12•CaCl2
Molecular Weight: 692.65
Freely Rotating Bonds: 16
Polar Surface Area: 159.52 Å2
Flash Point: 527.3 °C
Enthalpy of Vaporization: 156.55 kJ/mol
Boiling Point: 948.2 °C at 760 mmHg
The molecular structure of Streptomycin calcium chloride (CAS NO.15493-35-3) is
.
Canonical SMILES: CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)
(C=O)O.[Cl-].[Cl-].[Ca+2]
Isomeric 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)(C=O)O.[Cl-].[Cl-].[Ca+2]
InChI: InChI=1S/C21H39N7O12.Ca.2ClH/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);;2*1H/q;+2;;/p-2/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m0.../s1
InChIKey: VOXYVHZFYZSDDV-CZDSEFAFSA-L
Uses
Streptomycin calcium chloride (CAS NO.15493-35-3) is used as organic intermediate .
Toxicity Data With Reference
| 1. | orl-mus LD50:224 mg/kg | ANTBAL Antibiotiki. 27 (1982),535. | ||
| 2. | scu-mus LD50:758 mg/kg | ANTBAL Antibiotiki. 18 (1973),444. | ||
| 3. | ivn-mus LD50:165 mg/kg | ANTBAL Antibiotiki. 18 (1973),444. |
Safety Profile
Poison by ingestion and intravenous routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also STREPTOMYCIN.
RIDADR: 3249
HazardClass: 6.1(b)
PackingGroup: III
Specification
The CAS Register Number of Streptomycin calcium chloride is 15493-35-3. The chemical synonyms of Streptomycin calcium chloride(CAS NO.15493-35-3) are Calcium chloride with streptomycin (1:1) ; Streptomycin calcium chloride and Streptomycin, compd. with calcium chloride (1:1) .