Cas no 162652-95-1 (methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo12.3.1.0^{3,11}.0^{4,9}octadeca-3(11),4,6,8-tetraen-12-yl-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo10.6.1.0^{1,9}.0^{2,7}.0^{16,19}nonadeca-2,4,6,13-tetraene-10-carboxylate)
162652-95-1 structure
Product Name:methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo12.3.1.0^{3,11}.0^{4,9}octadeca-3(11),4,6,8-tetraen-12-yl-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo10.6.1.0^{1,9}.0^{2,7}.0^{16,19}nonadeca-2,4,6,13-tetraene-10-carboxylate
CAS No:162652-95-1
MF:C45H54F2N4O8
MW:816.929079532623
CID:65662
PubChem ID:10629256
Update Time:2025-04-18
methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo12.3.1.0^{3,11}.0^{4,9}octadeca-3(11),4,6,8-tetraen-12-yl-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo10.6.1.0^{1,9}.0^{2,7}.0^{16,19}nonadeca-2,4,6,13-tetraene-10-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Vinflunine
- VINFLUNINE TARTRATE
- 20',20'-difluoro-3',4'-dihydrovinorelbine
- 4'-Deoxy-20'
- C45H54F2N4O8
- C'-Norvincaleukoblastine,4'-deoxy-20',20'-difluoro
- C'-Norvincaleukoblastine,4'-deoxy-20',20'-difluoro-
- 4'-Deoxy-20',20'-difluoro-5'-norvincaleukoblastine
- 4'-Deoxy-20',20'-difluoro-8'-norvincaleukoblastine
- Aspidospermidine-3-carboxylic acid,4-(acetyloxy)-6,7-didehydro-15-[(2R,4R,6S,8S)-4-(1,1-difluoroethyl)-1,3,4,5,6,7,8,9-octahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-,methyl ester, (2b,3b,4b,5a,12b,19a)-
- methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo12.3.1.0^{3,11}.0^{4,9}octadeca-3(11),4,6,8-tetraen-12-yl-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo10.6.1.0^{1,9}.0^{2,7}.0^{16,19}nonadeca-2,4,6,13-tetraene-10-carboxylate
- methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-4-[(12S,14S,16R)-16-(1,1-difluoroethyl)-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
- L-0070
- CHEBI:90241
- methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(acetyloxy)-15-[(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0(3,11).0(4,9)]octadeca-3(11),4,6,8-tetraen-12-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
- NMDYYWFGPIMTKO-KLCPSUAYSA-N
- UNII-5BF646324K
- vinflunina
- NS00040798
- 4'-Deoxy-20',20'-difluoro-C'-norvincaleukoblastine
- Javlor
- VINFLUNINE [WHO-DD]
- EN300-33343034
- DB11641
- VINFLUNINE [EMA EPAR]
- 4'-DEOXY-20',20'-DIFLUORO-8'-NORVINCALEUCOBLASTINE
- HY-B0628
- vinfluninum
- VINFLUNINE [MART.]
- DTXSID30936722
- VINFLUNINE [MI]
- CHEMBL2110725
- AKOS040759183
- 162652-95-1
- C'-Norvincaleukoblastine, 4'-deoxy-20',20'-difluoro-
- Vinflunine [INN]
- Vinflunine [INN:BAN]
- 5BF646324K
- methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4(9),5,7-tetraen-12-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
- VINFLUNINE (MART.)
- L01CA05
- methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(acetyloxy)-15-((12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo(12.3.1.0(3,11).0(4,9))octadeca-3(11),4,6,8-tetraen-12-yl)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
- methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-4-((12S,14S,16R)-16-(1,1-difluoroethyl)-12-methoxycarbonyl-1,10-diazatetracyclo(12.3.1.03,11.04,9)octadeca-3(11),4,6,8-tetraen-12-yl)-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo(10.6.1.01,9.02,7.016,19)nonadeca-2,4,6,13-tetraene-10-carboxylate
-
- Inchi： 1S/C45H54F2N4O8/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3/t26-,27+,36-,37+,38+,42+,43+,44-,45-/m0/s1
- InChI Key： NMDYYWFGPIMTKO-KLCPSUAYSA-N
- SMILES： FC(C)([C@H]1CN2CC3C4C=CC=CC=4NC=3[C@](C(=O)OC)(C[C@H](C1)C2)C1C(=CC2=C(C=1)[C@@]13CCN4CC=C[C@@](CC)([C@H]([C@](C(=O)OC)([C@@H]1N2C)O)OC(C)=O)[C@H]43)OC)F
Computed Properties
- Exact Mass: 816.39100
- Monoisotopic Mass: 816.39097102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 59
- Rotatable Bond Count: 10
- Complexity: 1720
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 134?2
Experimental Properties
- PSA: 133.87000
- LogP: 5.01950
methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo12.3.1.0^{3,11}.0^{4,9}octadeca-3(11),4,6,8-tetraen-12-yl-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo10.6.1.0^{1,9}.0^{2,7}.0^{16,19}nonadeca-2,4,6,13-tetraene-10-carboxylate Security Information
- Storage Condition：Please store the product under the recommended conditions in the Certificate of Analysis.
methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo12.3.1.0^{3,11}.0^{4,9}octadeca-3(11),4,6,8-tetraen-12-yl-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo10.6.1.0^{1,9}.0^{2,7}.0^{16,19}nonadeca-2,4,6,13-tetraene-10-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | V32150-20mg |
Vinflunine |
162652-95-1 | ,HPLC≥98% | 20mg |
￥2948.0 | 2023-09-06 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce60060-5mg |
Vinflunine |
162652-95-1 | 98% | 5mg |
￥1125.00 | 2023-09-07 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce60060-10mg |
Vinflunine |
162652-95-1 | 98% | 10mg |
￥2119.00 | 2023-09-07 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce60060-50mg |
Vinflunine |
162652-95-1 | 98% | 50mg |
￥6426.00 | 2023-09-07 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce60060-100mg |
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￥12407.00 | 2023-09-07 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | V911089-5mg |
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￥1,965.60 | 2022-08-31 | |
| Enamine | EN300-33343034-0.05g |
methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4,6,8-tetraen-12-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate |
162652-95-1 | 95.0% | 0.05g |
$2755.0 | 2025-03-18 | |
| A2B Chem LLC | AA84429-1mg |
Vinflunine |
162652-95-1 | 1mg |
$584.00 | 2024-04-20 | ||
| A2B Chem LLC | AA84429-5mg |
Vinflunine |
162652-95-1 | 5mg |
$2119.00 | 2024-04-20 | ||
| A2B Chem LLC | AA84429-10mg |
Vinflunine |
162652-95-1 | 10mg |
$3884.00 | 2024-04-20 |
methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo12.3.1.0^{3,11}.0^{4,9}octadeca-3(11),4,6,8-tetraen-12-yl-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo10.6.1.0^{1,9}.0^{2,7}.0^{16,19}nonadeca-2,4,6,13-tetraene-10-carboxylate Related Literature
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
162652-95-1 (methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo12.3.1.0^{3,11}.0^{4,9}octadeca-3(11),4,6,8-tetraen-12-yl-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo10.6.1.0^{1,9}.0^{2,7}.0^{16,19}nonadeca-2,4,6,13-tetraene-10-carboxylate) Related Products
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