10,11-메틸렌디옥시캄프토테신
10,11-Methylenedioxy-20-camptothecin
기본 정보
- CAS
104155-89-7- 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
개요
structure given in first source
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
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 98.2 Ų
- 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.
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