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Name	Calcium hopantenate hemihydrate	EINECS	N/A
CAS No.	1990-07-4	Density	1.23g/cm³
PSA	226.36000	LogP	-1.08800
Solubility	N/A	Melting Point	N/A
Formula	C10H19 N O5 . 1/2 Ca	Boiling Point	556°Cat760mmHg
Molecular Weight	504.591	Flash Point	290.1°C
Transport Information	N/A	Appearance	N/A
Safety	Moderately toxic by subcutaneous and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NO_x. See also CALCIUM COMPOUNDS.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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)

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 NO_x. 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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