Calcium Pantothenate

HCID 443753CAS 137-08-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].[Ca+2]
InChIKey: FAPWYRCQGJNNSJ-UBKPKTQASA-L
分子式: C18H32CaN2O10
平均分子量: 476.5 g/mol
単同位体質量: 476.1682862

概要

Calcium pantothenate is a polymer.

名称と識別子

優先名称: Calcium Pantothenate
IUPAC: calcium bis(3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate)

名称と別名

calcium pantothenate137-08-6D-Calcium pantothenatePantholinCalpanCalcium D-pantothenatePantothenate calciumVitamin B5, calcium saltCalpanatePantothenate de calciumCris PanCalcii pantothenas

名称をさらに表示

D-ca pantothenateCalcium pantotenateCa-HOPAPantothenic acid calcium saltBis(pantothenato)calciumDTXSID8040438Calcium pantothenate, d-Dextro calcium pantothenate

データベース識別子

CAS: 137-08-6
PubChem CID: 443753
DTXSID: DTXSID8040438
ChEMBL: CHEMBL1901349
ChEBI: CHEBI:31345
UNII: 568ET80C3D
EC Number: 205-278-9

物性

構造計算による物性

極性表面積: 219 Å²
水素結合供与体数: 6
水素結合受容体数: 10
回転可能結合数: 10
重原子数: 31
形式電荷: 0
複雑度: 233

実験および物理化学的性質

Cosmetics · 2 件

Cosmetic ingredients (Calcium Pantothenate) -> CIR (Cosmetic Ingredient Review)

Hair conditioning; Antistatic

Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food

Collision Cross Section204.26 Å² [M+H]+ [CCS Type: DT; Method: stepped-field]

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (26 of 26) of all reports.

Not Classified

Aggregated GHS information provided per 26 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: .beta.-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1)

Regulation (EC) No 1831/2003 (amended)

Calcium Pantothenate: Does not have an individual approval but may be used under an appropriate group standard

EPA Safer ChemicalChemical: Calcium pantothenate

Hazard Classes and CategoriesNot Classified

毒性情報

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

化学と産業

薬理情報

ATC Code · 4 件

A - Alimentary tract and metabolism

D - Dermatologicals

QA - Alimentary tract and metabolism

QD - Dermatologicals

MeSH Pharmacological ClassificationA group of water-soluble vitamins, some of which are COENZYMES.

用途と製造

UsesCIR ingredient: Calcium Pantothenate

Household ProductsInformation on 21 consumer products that contain Calcium pantothenate in the following categories is provided:

Use Classification · 3 件

EPA Safer Chemical Functional Use Classes -> Skin Conditioning Agents

Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern

Cosmetics -> Hair conditioning; Antistatic

General Manufacturing Information.beta.-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1): ACTIVE