Cas no 21008-79-7 ((15aR)-4-(4-aminobutyl)octadecahydropyrido[1,2-e][1,5]diazacycloheptadecin-5(6H)-one)
![(15aR)-4-(4-aminobutyl)octadecahydropyrido[1,2-e][1,5]diazacycloheptadecin-5(6H)-one structure](https://ossimg.kuujia.com/scimg/21500/21008-79-7x500.png)
21008-79-7 structure
Product Name:(15aR)-4-(4-aminobutyl)octadecahydropyrido[1,2-e][1,5]diazacycloheptadecin-5(6H)-one
CAS No:21008-79-7
MF:C23H45N3O
MW:379.622906446457
CID:1397495
PubChem ID:192984
Update Time:2025-04-20
(15aR)-4-(4-aminobutyl)octadecahydropyrido[1,2-e][1,5]diazacycloheptadecin-5(6H)-one Chemical and Physical Properties
Names and Identifiers
-
- (15aR)-4-(4-aminobutyl)octadecahydropyrido[1,2-e][1,5]diazacycloheptadecin-5(6H)-one
- Pyrido(1,2-e)(1,5)diazacycloheptadecin-5(6H)-one, 4-(4-aminobutyl)octadecahydro-, (R)-
- Pyrido[1,2-e][1,5]diazacycloheptadecin-5(6H)-one, 4-(4-aminobutyl)octadecahydro-, (R)-
- DTXSID20943309
- (17R)-5-(4-aminobutyl)-1,5-diazabicyclo[15.4.0]henicosan-6-one
- 4-(4-Aminobutyl)octadecahydropyrido[1,2-E][1,5]diazacycloheptadecin-5(6H)-one #
- BMGOFEXYTOOWHE-JOCHJYFZSA-N
- Oncinotine
- 4-(4-Aminobutyl)octadecahydropyrido[1,2-E][1,5]diazacycloheptadecin-5(6H)-one
- 21008-79-7
-
- Inchi： 1S/C23H45N3O/c24-17-10-12-19-26-21-13-20-25-18-11-9-15-22(25)14-7-5-3-1-2-4-6-8-16-23(26)27/h22H,1-21,24H2/t22-/m1/s1
- InChI Key： BMGOFEXYTOOWHE-JOCHJYFZSA-N
- SMILES： O=C1CCCCCCCCCC[C@@H]2CCCCN2CCCN1CCCCN
Computed Properties
- Exact Mass: 379.35655
- Monoisotopic Mass: 379.35626307g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 388
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 49.6?2
Experimental Properties
- PSA: 49.57
(15aR)-4-(4-aminobutyl)octadecahydropyrido[1,2-e][1,5]diazacycloheptadecin-5(6H)-one Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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