Cas no 22324-15-8 (Merobustinine)
Merobustinine structure
Product Name:Merobustinine
CAS No:22324-15-8
MF:C21H25NO5
MW:371.426906347275
CID:254799
Update Time:2024-02-29
Merobustinine Chemical and Physical Properties
Names and Identifiers
-
- Benzo[6,7]cyclohept[1,2,3-ij]isoquinoline-1,11-diol,4,5,6,6a,7,8-hexahydro-2,10,12-trimethoxy-6-methyl-, (6aR)-
- Benzo[6,7]cyclohept[1,2,3-ij]isoquinoline-1,11-diol,4,5,6,6a,7,8-hexahydro-2,10,12-trimethoxy-6-methyl-, (R)-
- C-Homo-6ab-aporphine-1,10-diol,2,9,11-trimethoxy- (8CI)
- Multifloramine
- Merobustinine
- (+)-Multifloramine
-
- Inchi： 1S/C21H25NO5/c1-22-8-7-12-10-14(25-2)19(23)18-16(12)13(22)6-5-11-9-15(26-3)20(24)21(27-4)17(11)18/h9-10,13,23-24H,5-8H2,1-4H3/t13-/m0/s1
- InChI Key： JCWDQBQBVNMMNK-ZDUSSCGKSA-N
- SMILES： OC1C(=CC2CCN(C)[C@H]3CCC4C=C(C(=C(C=4C=1C3=2)OC)O)OC)OC
- BRN： 1555600
Computed Properties
- Exact Mass: 371.173
- Monoisotopic Mass: 371.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 519
- 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
- Topological Polar Surface Area: 71.4
Experimental Properties
- Density: 1.257
- Boiling Point: 581.1°C at 760 mmHg
- Flash Point: 305.3°C
- Refractive Index: 1.61
Merobustinine Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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