9-CIS-레티날

9-Cis-Retinal

HCID 6436082CAS 514-85-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C=O)C(C)(C)CCC1
InChIKey
NCYCYZXNIZJOKI-MKOSUFFBSA-N
분자식
C20H28O
평균 분자량
284.4 g/mol
단동위원소 질량
284.21401552

개요

9-cis-retinal is a retinal in which the double bond at position 9 has cis configuration, whilst the remaining acyclic double bonds have trans configuration.

이름 및 식별자

우선 이름
9-Cis-Retinal
IUPAC
(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
현지명
9-CIS-레티날
영어명
9-CIS-RETINAL
분자식
C20H28O
분자량
284.44

이름 및 동의어

9-cis-Retinal514-85-29-cis-RetinaldehydeIsoretinene A9-cis-Vitamin A aldehyde9-C-RetinalRetinal, 9-cis-9-cis-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenalCHEBI:78273DTXSID00891233(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal
이름 더 보기
9-CIS-레티날C031390isoretinenea(9Z)-Retinalcis-9-retinal
RefChem:5493143,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenalDTXCID801030416208-188-8(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal(9cis)-retinalIso Rhodopsin9-cis-7,11,13-trans-retinal

데이터베이스 식별자

CAS
514-85-2
PubChem CID
6436082
DTXSID
DTXSID00891233
ChEMBL
CHEMBL257381
ChEBI
CHEBI:78273
EC Number
208-188-8
Nikkaji
J1.631.398J、J1.631.399H、J121.827A

물성

구조 계산 물성

XLogP
6.2
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
5
무거운 원자 수
21

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Vitamins and Derivatives
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> Retinoids [PR0109]
Physical Description · 2건

Solid; [Sigma-Aldrich MSDS]

Solid

Collision Cross Section170.1 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

물리화학적 성질

녹는점
56 · 56-58 °C(lit.)
끓는 점
366.92 °C · 366.92°C (rough estimate)
밀도
1.0083 · 1.0083 (rough estimate)
굴절률
1.45 · 1.4500 (estimate)
저장 조건
20 °C · −20°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

Pale-Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryA skin irritant; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
VH6406500
risk_code
20/21/22-38
hazard_code
Xn
safety_code
22-36/37

화학 및 산업

약리 정보

Metabolism/Metabolites9-cis-retinal has known human metabolites that include 4-hydroxy-9-cis-retinals.
Cellular LocationsCytoplasm
Metabolite PathwaysRetinol Metabolism

용도 및 제조

General Manufacturing InformationRetinal, 9-cis-: INACTIVE

응용 분야

용도9-cis-Retinal is an isomer of all-trans-Retinal (R240000).

상·하류 제품 정보

공급사31 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
南京瓦力化工科技有限公司18005141382 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

추가 설명

정의ChEBI: A retinal in which the double bond at position 9 has cis configuration, whilst the remaining acyclic double bonds have trans configuration.

관련 반응

3건
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