Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Calcium homopantothenate

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

Calcium homopantothenate

EINECS N/A
CAS No. 17097-76-6 Density N/A
PSA 200.95000 LogP -0.74310
Solubility N/A Melting Point 165 °C
Formula C20H38CaN2O10 Boiling Point 556 °C at 760 mmHg
Molecular Weight 504.591 Flash Point 290.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 17097-76-6 (CALCIUM D-(+)-4-(2,4-DIHYDROXY-3,3-DIMETHYLBUTYLAMIDO)BUTYRATE HEMIHYDRATE) Hazard Symbols N/A
Synonyms

Butanoicacid, 4-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-, calcium salt (2:1),(R)-;Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt(2:1), D-(+)- (8CI);Calcium D-(+)-homopantothenate;D-(+)-Homopantothenic acid calcium salt;Hopantenate calcium;Pantogam;

 

Calcium homopantothenate Specification

The CAS registry number of Calcium homopantothenate is 17097-76-6. The IUPAC name is 4-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]butanoate. In addition, the molecular formula is C20H38CaN2O10 and the molecular weight is 506.59. What's more, it belongs to the class of Drug/Therapeutic Agent. And it should be stored in a cool and dry place.

Physical properties about Calcium homopantothenate are: (1)ACD/LogP: -1.05; (2)ACD/LogD (pH 5.5): -2.02; (3)ACD/LogD (pH 7.4): -3.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 76.07 Å2; (12)Flash Point: 290.1 °C; (13)Enthalpy of Vaporization: 96.25 kJ/mol; (14)Boiling Point: 556 °C at 760 mmHg; (15)Vapour Pressure: 1.11E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].O=C(NCCCC([O-])=O)[C@H](O)C(C)(C)CO.[O-]C(=O)CCCNC(=O)[C@H](O)C(C)(C)CO
(2)InChI: InChI=1/2C10H19NO5.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/t2*8-;/m00./s1
(3)InChIKey: OVXZVDMCQPLHIY-AFISOYETBK

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1600mg/kg (1600mg/kg)   Yakkyoku. Pharmacy. Vol. 29, Pg. 1231, 1978.
mouse LD50 intravenous 880mg/kg (880mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 18, Pg. 3626, 1984.
mouse LD50 oral 5490mg/kg (5490mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Kiso to Rinsho. Clinical Report. Vol. 18, Pg. 3626, 1984.
mouse LD50 subcutaneous 2600mg/kg (2600mg/kg)   Drugs in Japan Vol. 6, Pg. 788, 1982.
rat LD50 intraperitoneal 13500mg/kg (13500mg/kg)   Yakkyoku. Pharmacy. Vol. 29, Pg. 1231, 1978.
rat LD50 intravenous 915mg/kg (915mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Kiso to Rinsho. Clinical Report. Vol. 18, Pg. 3626, 1984.
rat LD50 oral 13500mg/kg (13500mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Kiso to Rinsho. Clinical Report. Vol. 18, Pg. 3626, 1984.
rat LD50 subcutaneous 5600mg/kg (5600mg/kg)   Drugs in Japan Vol. 6, Pg. 788, 1982.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 17097-76-6