Cas no 161510-80-1 (9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-2,9-dimethyl-11-(methylamino)-, (9S,10R,11R,13R)-)
![9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-2,9-dimethyl-11-(methylamino)-, (9S,10R,11R,13R)- structure](https://ossimg.kuujia.com/scimg/162000/161510-80-1x500.png)
161510-80-1 structure
Product Name:9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-2,9-dimethyl-11-(methylamino)-, (9S,10R,11R,13R)-
CAS No:161510-80-1
MF:C29H28N4O3
MW:480.557626724243
CID:152143
PubChem ID:9956829
Update Time:2024-03-01
9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-2,9-dimethyl-11-(methylamino)-, (9S,10R,11R,13R)- Chemical and Physical Properties
Names and Identifiers
-
- 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one,2,3,10,11,12,13-hexahydro-10-methoxy-2,9-dimethyl-11-(methylamino)-,(9S,10R,11R,13R)-
- KT-6352
- 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one,2,3,10,11,12,13-hexahydro-10-methoxy-2,
- 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-2,9-dimethyl-11-(methylamino)-, (9S,10R,11R,13R)-
-
- Inchi： 1S/C29H28N4O3/c1-29-27(35-4)18(30-2)13-21(36-29)32-19-11-7-5-9-15(19)23-24-17(14-31(3)28(24)34)22-16-10-6-8-12-20(16)33(29)26(22)25(23)32/h5-12,18,21,27,30H,13-14H2,1-4H3/t18-,21-,27-,29+/m1/s1
- InChI Key： PVXGNNSVPKEBLM-ZTUXULFESA-N
- SMILES： O1[C@@H]2C[C@H]([C@H]([C@@]1(C)N1C3C=CC=CC=3C3=C4CN(C)C(C4=C4C5C=CC=CC=5N2C4=C13)=O)OC)NC
Computed Properties
- Exact Mass: 480.21614077g/mol
- Monoisotopic Mass: 480.21614077g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 36
- Rotatable Bond Count: 2
- Complexity: 932
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 60.7?2
9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-2,9-dimethyl-11-(methylamino)-, (9S,10R,11R,13R)- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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