4-데옥시피리독신

Deoxypyridoxine

HCID 6094CAS 61-67-6
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기본 정보

표준 SMILES
Cc1ncc(CO)c(C)c1O
InChIKey
KKOWAYISKWGDBG-UHFFFAOYSA-N
분자식
C8H11NO2
평균 분자량
153.18 g/mol
단동위원소 질량
153.07897859

개요

4-deoxypyridoxine is a pyridine ring substituted with methyl groups at positions 2 and 4, a hydroxyl at position 3, and a hydroxymethyl group at position 5. It has a role as a metabolite. It is a member of methylpyridines, a monohydroxypyridine and a hydroxymethylpyridine.

이름 및 식별자

우선 이름
Deoxypyridoxine
IUPAC
5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol
현지명
4-데옥시피리독신
영어명
4-deoxypyridoxine
분자식
C8H11NO2
분자량
153.18

이름 및 동의어

4-Deoxypyridoxine61-67-64-DeoxypyridoxolDeoxypyridoxineDesoxypyridoxine5-Hydroxy-4,6-dimethyl-3-pyridinemethanolCHEBI:65083DTXSID502098494'-deoxypyridoxineRefChem:98729DTXCID501323405-(hydroxymethyl)-2,4-dimethylpyridin-3-ol
이름 더 보기
4-데옥시피리독신4-DeoxyadermineDesoxypridoxineVitamin B6 EP Impurity B4,6-DIMETHYL-5-HYDROXY-3-PYRIDINEMETHANOL
4-Deoxypyridoxal4-DesoxypyridoxineAdermine, 4-deoxy-.alpha.4-Norpyridoxine3-Pyridinemethanol, 5-hydroxy-4,6-dimethyl-B7LKF6JMQ33-PYRIDINEMETHANOL, 4,6-DIMETHYL-5-HYDROXY-BRN 0128029

데이터베이스 식별자

CAS
61-67-6
PubChem CID
6094
DTXSID
DTXSID50209849
ChEMBL
CHEMBL3244689
ChEBI
CHEBI:65083
UNII
B7LKF6JMQ3
EC Number
998-834-1
Nikkaji
J15.781C

물성

구조 계산 물성

XLogP
-0.1
극성 표면적
53.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
11

물리화학적 성질

녹는점
264 °C · 264 °C
끓는 점
276.1 °C · 276.1°C (rough estimate)
밀도
1.1577 · 1.1577 (rough estimate)
굴절률
1.501 · 1.5010 (estimate)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
10.54 · 10.54±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H361d (100%): Suspected of damaging the unborn child [Warning Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesRepr. 2 (100%)

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Substances that reduce or suppress INFLAMMATION.

Substances that are destructive to protozoans.

상·하류 제품 정보

공급사13 곳

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
skychemical Co.Ltd021-20958197 20965099 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]

추가 설명

정의ChEBI: A pyridine ring substituted with methyl groups at positions 2 and 4, a hydroxyl at position 3, and a hydroxymethyl group at position 5.

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