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Calciumpantothenichydrate structure, CAS 63409-48-3

Calciumpantothenichydrate

CAS Number63409-48-3

SynonymsCalcium Pantothenate, Racemic; DL-Pantothenic acid hemicalcium salt; Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate}; DL-Calcium pantothenate; Calcium DL-Pantothenate; UNII:2KC899R47Q; β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1); DL-Pantothenic acid calcium salt; Calcium Pantothenate; MFCD00150718; (±)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-β-alanine

Molecular FormulaC18H32CaN2O10

Molecular Weight476.532

Purity

Density

Boiling Point551.5ºC at 760 mmHg

Melting Point138ºC (dec.)(lit.)

Flash Point

AppearanceWhite powder, slightly hygroscopic

EINECS

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Symboltransportation

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Cat. No.: 2A-9081622 Purity:
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Quality Control of [ 63409-48-3 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number63409-48-3
Catalog No.2A-9081622
Chinese Name泛酸钙
SynonymsCalcium Pantothenate, Racemic; DL-Pantothenic acid hemicalcium salt; Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate}; DL-Calcium pantothenate; Calcium DL-Pantothenate; UNII:2KC899R47Q; β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1); DL-Pantothenic acid calcium salt; Calcium Pantothenate; MFCD00150718; (±)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-β-alanine
Molecular FormulaC18H32CaN2O10
Molecular Weight476.532
Boiling Point551.5ºC at 760 mmHg
Melting Point138ºC (dec.)(lit.)
AppearanceWhite powder, slightly hygroscopic
Storage Condition2-8°C
ApplicationVitamin B5, calcium hydrate - 13C3, 15N is 13C and 15N labeled vitamin B5, calcium hydrate [1].
HTC2936240000
SMILESCC(C)(CO)C(O)C(=O)NCCC(=O)O.O.[Ca]
InChIInChI=1S/2C9H17NO5.Ca.H2O/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;1H2/q;;+2;/p-2/t2*7-;;/m00../s1
InChI KeySYQWOQFFWAJNPD-UHFFFAOYSA-N
Hazard Symbolstransportation
BioactivityVitamin B5,Calcium Salt Hydrate-13C3, 15N is the 13C and 15N labeled Vitamin B5,Calcium Salt Hydrate[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. References [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. Chemical & Physical Properties Boiling Point 551.5ºC at 760 mmHg Melting Point 138ºC (dec.)(lit.) Molecular Formula C18H32CaN2O10 Molecular Weight 476.532 Flash Point 287.3ºC Exact Mass 476.168274 PSA 191.72000 InChIKey SYQWOQFFWAJNPD-UHFFFAOYSA-N SMILES CC(C)(CO)C(O)C(=O)NCCC(=O)O.O.[Ca] Storage condition 2-8°C
Use ofProperties Name DL-Pantothenic Acid Calcium Salt Synonym More Synonyms Calcium DL-Pantothenate Biological Activity Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. References [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. Chemical & Physical Properties Exact Mass 476.168274 PSA 191.72000 InChIKey SYQWOQFFWAJNPD-UHFFFAOYSA-N SMILES CC(C)(CO)C(O)C(=O)NCCC(=O)O.O.[Ca]
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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