Vinleurosine Sulfate
PubChem CID
72710665
Structure
Molecular Formula
Synonyms
- LEUROSINE SULFATE
- 54081-68-4
- VINLEUROSINE SULFATE
- UNII-G7E5NU015T
- Vinleurosine sulfate [USAN]
Molecular Weight
1716.0 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2014-01-31
- Modify:2024-12-07
Chemical Structure Depiction
Conformer generation is disallowed since too many atoms, too flexible, mixture or salt
methyl (13S,15S,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/2C46H56N4O9.H2O4S/c2*1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45;1-5(2,3)4/h2*10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3;(H2,1,2,3,4)/t2*27-,36+,37-,38+,39+,42+,43-,44+,45-,46-;/m00./s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
YCWXIQRLONXJLF-FOVAWKNMSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC[C@]12CN3CCC4=C([C@](C[C@@H](C3)[C@H]1O2)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41.CC[C@]12CN3CCC4=C([C@](C[C@@H](C3)[C@H]1O2)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41.OS(=O)(=O)O
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C92H114N8O22S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
54081-68-4
1404-95-1, 57986-74-0
- LEUROSINE SULFATE
- 54081-68-4
- VINLEUROSINE SULFATE
- UNII-G7E5NU015T
- Vinleurosine sulfate [USAN]
- Lilly 32645
- NSC-90636
- Vinleurosine sulphate
- G7E5NU015T
- NSC 90636
- methyl (13S,15S,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid
- LY-32645
- Vincaleukoblastine, 4'-deoxy-3',4'-epoxy-, (3'.alpha.,4'.alpha.)-, sulfate (2:1) (salt)
- Vinleurosine sulfate (USAN)
- VINCALEUKOBLASTINE, 4'-DEOXY-3',4'-EPOXY-, (3'.ALPHA.,4'.ALPHA.)-, SULFATE (2:1)
- DA-59013
- Q27278884
- VINCALEUKOBLASTINE, 4'-DEOXY-3',4'-EPOXY-, (3'ALPHA,4'ALPHA)-, SULFATE (2:1)
- Vincaleukoblastine, 4'-deoxy-3',4'-epoxy-, (3'alpha,4'alpha)-, sulfate (2:1) (salt)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
1716.0 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
28
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
20
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
1714.77683847 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
1714.77683847 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
376Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
123
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
1830
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
20
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplusVinleurosine sulfate [USAN]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0054081684ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingVinleurosine sulfatehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/G7E5NU015T
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- Wikidatavinleurosine sulfatehttps://www.wikidata.org/wiki/Q27278884
- PubChem
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