Formyl-leurosine

HCID 320745
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Basic information

CAS
54022-49-0
Standard SMILES
CC[C@]12CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(c4cc5c(cc4OC)N(C=O)[C@H]4[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@H](C3)[C@H]1O2
InChIKey
GLDSBTCHEGZWCV-HLTPFJCJSA-N
Molecular formula
C46H54N4O10
Average molar mass
822.9 g/mol
Monoisotopic mass
822.38399393

Overview

Formyl-leurosine has been reported in Catharanthus roseus with data available.

Names & identifiers

Preferred name
Formyl-leurosine
IUPAC
methyl (13S,15R,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-8-formyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-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
English name
Formyl-leurosine
Molecular formula
C46H54N4O10
Molecular weight
822.94

Names & synonyms

Formyl-leurosineF-Leurosinemethyl (13S,15R,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-8-formyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-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-carboxylateformyl leurosinemethyl (13S,15R,16R,18S)-13-((1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-8-formyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-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-carboxylateRefChem:141307Vincaleukoblastine, 4'-deoxy-3',4'-epoxy-22-oxo-, (3'alpha,4'alpha)-N-Formyl leurosineVincristine Impurity GSCHEMBL2034392DTXSID60968854GLDSBTCHEGZWCV-HLTPFJCJSA-N
Show more names
NS269419NSC 269419Leuroformine22-OxoleurosineVincristine Impurity 1N-Formyl Leurosine(>85%)N-Demethyl-N-formylleurosine
(3'a,4'a)-4'-Deoxy-3',4'-epoxy-22-oxovincaleukoblastineNSC269419AKOS030242406IF2355222-Oxo-O~3'~,3'-cyclovincaleukoblastineNS00121642Vincaleukoblastine,4'-epoxy-22-oxo-, (3'.alpha.,4'.alpha.)-(6'xi)-22-Oxo-2alpha,3alpha,3'beta,4alpha,5beta,12beta,19beta-O~3'~,3'-cyclovincaleukoblastine

Database identifiers

CAS
54022-49-0
PubChem CID
320745
DTXSID
DTXSID60968854
Nikkaji
J1.698.636D

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
163 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
12
Rotatable bonds
10
Heavy atoms
60

Physicochemical properties

Melting point
200 · 200-210°C
Density
1.425 · 1.425±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
-20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
solubility
Chloroform (Slightly), Methanol (Slightly)
pka
11.102 · 11.102±0.60(predicted)
form
Solid

Chemistry & industry

Applications

UsesDegradation products of Vincristine. A Vinca dimer, a potent cytostatic agent. Vincristine Impurity G.

Suppliers20 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Guangzhou Tosun Pharmaceutical Limited+86-18124244216 +86-18124244216 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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