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1990-07-4

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Basic Information
CAS No.: 1990-07-4
Name: Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt (2:1) (8CI)
Molecular Structure:
Molecular Structure of 1990-07-4 (Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt (2:1) (8CI))
Formula: C10H19 N O5 . 1/2 Ca
Molecular Weight: 504.591
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)
Density: 1.23g/cm3
Boiling Point: 556°Cat760mmHg
Flash Point: 290.1°C
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.
PSA: 226.36000
LogP: -1.08800
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  • Butanoic acid,4-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-, calcium salt (2:1)

  • Casno:

    1990-07-4

    Butanoic acid,4-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-, calcium salt (2:1)

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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

  • Casno:

    1990-07-4

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

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Shanghai, Run-Biotech Co., Ltd is a leading domestic pharmaceutical, biopharmaceutical, and health care products R & D outsourcing services company. As an innovation-driven and customer-focused company, Run Biotech provides a broad and integrated por

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Chemistry

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

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.

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.

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) .