Calcium Pantothenate

HCID 443753CAS 137-08-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 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
분자식
C18H32CaN2O10
평균 분자량
476.5 g/mol
단동위원소 질량
476.1682862

개요

Calcium pantothenate is a polymer.

이름 및 식별자

우선 이름
Calcium Pantothenate
IUPAC
calcium bis(3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate)

이름 및 동의어

calcium pantothenate137-08-6D-Calcium pantothenatePantholinCalpanCalcium D-pantothenatePantothenate calciumVitamin B5, calcium saltCalpanatePantothenate de calciumCris PanCalcii pantothenas
이름 더 보기
D-ca pantothenateCalcium pantotenateCa-HOPAPantothenic acid calcium saltBis(pantothenato)calciumDTXSID8040438Calcium pantothenate, d-Dextro calcium pantothenate

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적
219 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
10
회전 가능 결합 수
10
무거운 원자 수
31

실험 및 물리화학적 성질

Cosmetics · 2건

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]

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 3건

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

독성 정보

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

화학 및 산업

약리 정보

ATC Code · 4건

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.

용도 및 제조

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

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

관련 반응

5건
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