Product Name

  • Name

    Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt (2:1) (8CI)

  • EINECS
  • CAS No. 1990-07-4
  • Density 1.23g/cm3
  • Solubility
  • Melting Point
  • Formula C10H19 N O5 . 1/2 Ca
  • Boiling Point 556°Cat760mmHg
  • Molecular Weight 504.591
  • Flash Point 290.1°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by subcutaneous and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. See also CALCIUM COMPOUNDS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 1990-07-4 (Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt (2:1) (8CI))
  • Hazard Symbols
  • Synonyms Butyricacid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt (2:1) (8CI);Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt (7CI)
  • PSA 226.36000
  • LogP -1.08800

Calcium hopantenate hemihydrate Chemical Properties

Molecular Structure of Calcium hopantenate hemihydrate (CAS NO. 1990-07-4):

IUPAC Name: Calcium 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]butanoate 
Molecular Formula: C20H36CaN2O10
Molecular Weight: 504.585240 g/mol
H-Bond Donor: 6
H-Bond Acceptor: 10
Canonical SMILES: CC(C)(CO)C(C(=O)NCCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCCC(=O)[O-])O.[Ca+2]
InChI: InChI=1S/2C10H19NO5.Ca/c2*1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;/h2*8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14);/q;;+2/p-2
InChIKey: OVXZVDMCQPLHIY-UHFFFAOYSA-L
Flash Point of Calcium hopantenate hemihydrate (CAS NO. 1990-07-4): 290.1 °C
Enthalpy of Vaporization: 96.25 kJ/mol
Boiling Point: 556 °C at 760 mmHg
Vapour Pressure: 1.11E-14 mmHg at 25 °C

Calcium hopantenate hemihydrate Toxicity Data With Reference

1.    

orl-rat LD50:13,900 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 9 (1978),829.
2.    

ipr-rat LD50:13,500 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 9 (1978),829.
3.    

scu-rat LD50:5600 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 9 (1978),829.
4.    

orl-mus LD50:6000 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 9 (1978),829.
5.    

ipr-mus LD50:850 mg/kg

     YAKUD5    Gekkan Yakuji. Pharmaceuticals Monthly. 20 (1978),259.
6.    

scu-mus LD50:2600 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 9 (1978),829.

Calcium hopantenate hemihydrate Safety Profile

Moderately toxic by subcutaneous and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. See also CALCIUM COMPOUNDS.

Calcium hopantenate hemihydrate Specification

  Calcium hopantenate hemihydrate with cas registry number of 1990-07-4 is also known as Butanoic acid, 4-((2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-, calcium salt (2:1) ; Butanoic acid, 4-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-, calcium salt (2:1) ; Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt (2:1) ; Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt ; Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt (2:1) (8CI) ; Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt (7CI) .

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