기본 정보
- CAS
68834-07-1- 표준 SMILES
COCN(CNn1c(=O)c2ccc3oc4ccc(OC)cc4c4ccc(c1=O)c2c34)c1nc(N(COC)COC)nc(N(COC)COC)n1- InChIKey
MNURKULVBXOAGD-UHFFFAOYSA-N- 분자식
- C33H38N8O9
- 평균 분자량
- 690.7 g/mol
- 단동위원소 질량
- 690.27617482
이름 및 식별자
- 우선 이름
- 1H-Xantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-[[[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methyl]amino]-9-methoxy-
- IUPAC
- 14-[[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methylamino]-4-methoxy-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione
이름 및 동의어
EINECS 272-433-51H-Xantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-[[[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methyl]amino]-9-methoxy-2-((((4,6-Bis(bis(methoxymethyl)amino)-1,3,5-triazin-2-yl)(methoxymethyl)amino)methyl)amino)-9-methoxy-1H-xantheno(2,1,9-def)isoquinoline-1,3(2H)-dioneDTXSID80717761H-Xantheno(2,1,9-def)isoquinoline-1,3(2H)-dione, 2-((((4,6-bis(bis(methoxymethyl)amino)-1,3,5-triazin-2-yl)(methoxymethyl)amino)methyl)amino)-9-methoxy-2-[[[[4,6-Bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methyl]amino]-9-methoxy-1H-xantheno[2,1,9-def]isoquinoline-1,3(2H)-dioneRefChem:240978DTXCID7046257272-433-568834-07-1MNURKULVBXOAGD-UHFFFAOYSA-NNS00036716
이름 더 보기
2-({[{4,6-Bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl}(methoxymethyl)amino]methyl}amino)-9-methoxy-1H-benzo[3,4][2]benzopyrano[7,8,1-def]isoquinoline-1,3(2H)-dione
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 162 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,090
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Xantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-[[[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methyl]amino]-9-methoxy-: INACTIVE
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