10,11-메틸렌디옥시캄프토테신

10,11-Methylenedioxy-20-camptothecin

HCID 72403CAS 104155-89-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4
InChIKey: RPFYDENHBPRCTN-NRFANRHFSA-N
분자식: C21H16N2O6
평균 분자량: 392.4 g/mol
단동위원소 질량: 392.10083623

이름 및 식별자

우선 이름: 10,11-Methylenedioxy-20-camptothecin
IUPAC: (5S)-5-ethyl-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(13),2,4(9),14,16,21,23-heptaene-6,10-dione
현지명: 10,11-메틸렌디옥시캄프토테신
영어명: 10,11-methylenedioxycamptothecin
분자식: C21H16N2O6
분자량: 392.36

이름 및 동의어

Mdo-cpt10,11-Methylenedioxy-20-camptothecin104155-89-7NSC 634724RefChem:907873135415-73-510,11-MethylenedioxycamptothecinFL11810,11-Methylenedioxy-20S-camptothecin(S)-7-Ethyl-7-hydroxy-7H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(10H,13H)-dioneCHEMBL307794(5S)-5-ethyl-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(13),2,4(9),14,16,21,23-heptaene-6,10-dione

이름 더 보기

10,11-메틸렌디옥시캄프토테신CAS:135415-73-5RPFYDENHBPRCTN-NRFANRHFSA-N(20RS)-10,11-Methylenedioxycamptothecin10,11-(Methylenedioxy)camptothecin(FL118)(4S)-4-Ethyl-4-hydroxy-8,9-methylenedioxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione(S)-7-Ethyl-7-hydroxy-7H-[1,3]dioxolo[4,5-g]pyrano[3’,4’:6,7]indolizino[1,2-b]quinoline-8,11(10H,13H)-dione(4S)-4-Hydroxy-4-ethyl-8,9-(methylenedioxy)-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

10,11-(Methylenedioxy)-20(S)-camptothecinNSC634724compound 5z [PMID: 8410981]10H-1,3-Dioxolo(4,5-g)pyrano(3,4:6,7)indolizino(1,2-b)quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-, (7S)-10,11-Methylenedioxy-20-(RS)-camptothecin10,11-CH2O2-CamptothecinGTPL8893orb1905831

데이터베이스 식별자

CAS: 104155-89-7、135415-73-5
PubChem CID: 72403
DTXSID: DTXSID20908832
ChEMBL: CHEMBL307794
Nikkaji: J365.500H

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 98.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 29
형식 전하: 0
복잡도: 852

물리화학적 성질

끓는 점: 812.1 · 812.1±65.0 °C(Predicted)
밀도: 1 · 1+-.0.1 g/cm3(Predicted)
산도 계수 (pKa): 11.18 · 11.18±0.20(Predicted)
물리적 상태: Solid
색상: Light brown to brown
InChI: InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1
InChIKey: RPFYDENHBPRCTN-NRFANRHFSA-N
SMILES: N1C2C(=CC3OCOC=3C=2)C=C2CN3C(C=12)=CC1[C@](CC)(O)C(=O)OCC=1C3=O

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationCompounds that inhibit the activity of DNA TOPOISOMERASE I.

공급사1 곳

CHEMICAL LAND21[email protected]

연결된 노트

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