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| CAS No.: | 32266-82-3 |
|---|---|
| Name: | Butanedioic acid,1-[3-[(2-ethylhexyl)amino]-1-methyl-3-oxopropyl] ester, calcium salt (2:1) |
| Molecular Structure: | |
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| Formula: | C16H29 N O5 . 1/2 Ca |
| Molecular Weight: | 671.00 |
| Synonyms: | Butanedioicacid, mono[3-[(2-ethylhexyl)amino]-1-methyl-3-oxopropyl] ester, calcium salt(2:1) (9CI); Succinic acid, monoester withN-(2-ethylhexyl)-3-hydroxybutyramide, calcium salt (2:1) (8CI); Butoctamidehydrogen succinate calcium salt; Calcium N-(2-ethylhexyl)-3-hydroxybutyramidesemisuccinate; Calcium N-(2-ethylhexyl)-b-hydroxybutyramide semisuccinate; CalciumN-2-ethylhexyl-b-hydroxybutyramidehemisuccinate |
| Hazard Symbols: |
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| Safety: | Moderately toxic by intraperitoneal, subcutaneous, and ingsetion routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. See also CALCIUM COMPOUNDS and ESTERS. |
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Chemistry
IUPAC Name: Calcium 4-[3-[(butanoylamino)methyl]heptan-4-yloxy]-4-oxobutanoate
Following is the structure of Calcium N-2-ethylhexyl-beta-oxybutyramide semisuccinate (CAS NO.32266-82-3):
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Empirical Formula: C32H56CaN2O10
Molecular Weight: 668.8724 g/mol
Enthalpy of Vaporization: 86.44 kJ/mol
Boiling Point: 517.6 °C at 760 mmHg
Vapour Pressure: 4.18E-12 mmHg at 25 °C
Flash Point of Calcium N-2-ethylhexyl-beta-oxybutyramide semisuccinate (CAS NO.32266-82-3): 266.8 °C
Canonical SMILES: CCCC(C(CC)CNC(=O)CCC)OC(=O)CCC(=O)[O-].CCCC(C(CC)CNC(=O)CCC)OC(=O)CCC(=O)[O-].[Ca+2]
InChI: InChI=1S/2C16H29NO5.Ca/c2*1-4-7-13(22-16(21)10-9-15(19)20)12(6-3)11-17-14(18)8-5-2;/h2*12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20);/q;;+2/p-2
InChIKey: ZHSAFPZWZXZOOS-UHFFFAOYSA-L
Toxicity Data With Reference
| 1. | orl-rat LD50:5746 mg/kg | TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 17 (1970),579. | ||
| 2. | ipr-rat LD50:741 mg/kg | TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 17 (1970),579. | ||
| 3. | scu-rat LD50:3037 mg/kg | TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 17 (1970),579. | ||
| 4. | orl-mus LD50:2129 mg/kg | TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 17 (1970),579. | ||
| 5. | ipr-mus LD50:549 mg/kg | TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 17 (1970),579. | ||
| 6. | scu-mus LD50:1187 mg/kg | TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 17 (1970),579. |
Safety Profile
Moderately is toxic by intraperitoneal, subcutaneous, and ingsetion routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition, Calcium N-2-ethylhexyl-beta-oxybutyramide semisuccinate (CAS NO.32266-82-3) emits toxic fumes of NOx. See also CALCIUM COMPOUNDS and ESTERS.
Specification
Calcium N-2-ethylhexyl-beta-oxybutyramide semisuccinate , its cas register number is 32266-82-3. It also can be calledButoctamide hydrogen succinate calcium salt ; and Succinic acid, monoester with N-(2-ethylhexyl)-3-hydroxybutyramide, calcium salt (2:1) . Its classification code are Drug / Therapeutic Agent and Reproductive Effect.