7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

HCID 1691

기본 정보

표준 SMILES: COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1
InChIKey: AOJJSUZBOXZQNB-UHFFFAOYSA-N
분자식: C27H29NO11
평균 분자량: 543.5 g/mol

개요

7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione is an anthracycline.

이름 및 식별자

우선 이름: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

이름 및 동의어

NSC169534Adriamycin semiquinoneNCI-C01514NSC-169534DOX base5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-, mixt. with native calf thymus DNAADR (Salt/Mix)Adriamycin Fe3Cl10 HDOX HCl (Salt/Mix)Neuro_000057Neuro_000121Adriamycin-DNA hydrochloride

이름 더 보기

7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dioneSCHEMBL233853GNF-Pf-2453CHEMBL263733SCHEMBL29354926SCHEMBL31615362CHEBI:91872AOJJSUZBOXZQNB-UHFFFAOYSA-N

데이터베이스 식별자

PubChem CID: 1691
ChEMBL: CHEMBL263733
ChEBI: CHEBI:91872

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 206 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 12
회전 가능 결합 수: 5
무거운 원자 수: 39
형식 전하: 0
복잡도: 977

실험 및 물리화학적 성질

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