Calcium Pantothenate

HCID 443753CAS 137-08-6
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基本信息

标准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
单同位素质量
476.1682862

概述

Calcium pantothenate is a polymer.

名称与标识

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

名称与别名

calcium pantothenate137-08-6D-Calcium pantothenatePantholinCalpanCalcium D-pantothenatePantothenate calciumVitamin B5, calcium saltCalpanatePantothenate de calciumCris PanCalcii pantothenas
展开更多名称
D-ca pantothenateCalcium pantotenateCa-HOPAPantothenic acid calcium saltBis(pantothenato)calciumDTXSID8040438Calcium pantothenate, d-Dextro calcium pantothenate

数据库标识

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

性质

结构计算性质

极性表面积
219 Ų
氢键供体
6
氢键受体
10
可旋转键
10
重原子
31

实验与物化性质

Cosmetics · 2 条

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

Hair conditioning; Antistatic

Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food
Collision Cross Section204.26 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]

安全与法规

GHS分类

GHS Classification · 3 条

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.

危害信息

Regulatory Information · 3 条

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

毒理信息

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

化学与工业

药理信息

ATC Code · 4 条

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.

用途与制造

UsesCIR ingredient: Calcium Pantothenate
Household ProductsInformation on 21 consumer products that contain Calcium pantothenate in the following categories is provided:
Use Classification · 3 条

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

相关反应

5 条
新建反应记录

关联笔记

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