Cas no 4752-37-8 (Vincine)
Vincine structure
Product Name:Vincine
CAS No:4752-37-8
MF:C22H28N2O4
MW:384.468726158142
CID:332049
PubChem ID:12444841
Update Time:2024-02-29
Vincine Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylicacid, 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-9-methoxy-, methylester, (12S,13aS,13bS)-
- 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylicacid, 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy
- Vincine
- (+)-Vincine
- 11-Methoxyvincamine
- 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine,eburnamenine-14-carboxylic acid deriv.
- Eburnamenine-14-carboxylicacid, 14,15-dihydro-14-hydroxy-11-methoxy-, methyl ester, (3a,14b,16a)- (9CI)
- Vincine (7CI,8CI)
- DTXSID901099186
- 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylic acid, 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-9-methoxy-, methyl ester, (12S,13aS,13bS)-
- 4752-37-8
- NS00094553
-
- Inchi: 1S/C22H28N2O4/c1-4-21-9-5-10-23-11-8-16-15-7-6-14(27-2)12-17(15)24(18(16)19(21)23)22(26,13-21)20(25)28-3/h6-7,12,19,26H,4-5,8-11,13H2,1-3H3/t19-,21+,22+/m1/s1
- InChI Key: QMSXPSURJTUZMP-HJNYFJLDSA-N
- SMILES: O[C@]1(C(=O)OC)C[C@]2(CC)CCCN3CCC4C5C=CC(=CC=5N1C=4[C@@H]32)OC
Computed Properties
- Exact Mass: 384.205
- Monoisotopic Mass: 384.205
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 644
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.9
- XLogP3: 2.8
Vincine Related Literature
-
Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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