Aclarubicin Hydrochloride

HCID 153751CAS 75443-99-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC.Cl
InChIKey: KUSMIBXCRZTVML-PCCPLWKKSA-N
분자식: C42H54ClNO15
평균 분자량: 848.3 g/mol
단동위원소 질량: 847.31819771

개요

Aclarubicin hydrochloride is an anthracycline.

이름 및 식별자

우선 이름: Aclarubicin Hydrochloride
IUPAC: methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate;hydrochloride

이름 및 동의어

Aclarubicin hydrochloride75443-99-1Aclacinomycin A hydrochlorideAclacinonAclaplastinAclarubicin HClDTXSID4046658501948RI66DTXCID2026658Jaclacin1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R,6S)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl]-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy]-, methyl ester, hydrochloride (1:1), (1R,2R,4S)-Aclacinomycine

이름 더 보기

1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R,6S)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, hydrochloride (1:1), (1R,2R,4S)-RefChem:915046278-209-3Methyl (1R,2R,4S)-4-(2,6-dideoxy-4-O-((2R,6S)-6-methyl-5-oxo-3,4,5,6-tetrahydro-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-dimethylamino-alpha-L-lyxo-hexopyranosyloxy)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4-tetrahydrotetracene-1-carboxylate monohydrochlorideAclacinAclacinomycin A HClAclarubicin hydrochloride [JAN]Aclacinomycin A (hydrochloride)

데이터베이스 식별자

CAS: 75443-99-1
PubChem CID: 153751
DTXSID: DTXSID4046658
ChEMBL: CHEMBL1697719
ChEBI: CHEBI:31171
UNII: 501948RI66
EC Number: 278-209-3

물성

구조 계산 물성

극성 표면적: 217 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 16
회전 가능 결합 수: 10
무거운 원자 수: 59
형식 전하: 0
복잡도: 1,530

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, 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.

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.

Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II.

연결된 노트

불러오는 중…