Lillyl 99094
Basic information
- CAS
59917-39-4- Standard SMILES
CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(N)=O)C(O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O.OCC(O)C(O)C(O)C(O)CO- InChIKey
YNWLWZCSXNAXCM-UHFFFAOYSA-N- Molecular formula
- C49H71N5O17S
- Average molar mass
- 1,034.2 g/mol
- Monoisotopic mass
- 1,033.45656699
Names & identifiers
- Preferred name
- Lillyl 99094
- IUPAC
- hexane-1,2,3,4,5,6-hexol;methyl 13-(10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl)-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid
- English name
- Vindesine sulfate
- Molecular formula
- C43H57N5O11S
- Molecular weight
- 852
Names & synonyms
Lillyl 99094Desacetylvinblastine amide sulfate compound with mannitolSCHEMBL31237585112531 Sulfate compound with mannitolVincaleukoblastine, sulfate (1:1) (salt), mixt. with D-mannitoleldisineFildesiGesidineElsedineLY-099094lilly99094vindesinasulfato
Show more names
VINDESINE SULFATEVinodixin sulfateVindesine Impurity
Database identifiers
- CAS
59917-39-4- PubChem CID
- 429016
Properties
Computed structural properties
- Topological polar surface area
- 369 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 12
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 1,750
Physicochemical properties
- Melting point
- 2500 C · >2500C
- storage temp.
- 2 · 2-8°C
- solubility
- 50 mg/mL · deionized water: ≥50mg/mL
- form
- powder
- color
- off-white to light yellow
- Stability
- Hygroscopic
- InChIKey
- COFJBSXICYYSKG-LBXFSOLBNA-N
- FDA UNII
- 2 U7DNDY · CPH2U7DNDY
- NCI Drug Dictionary
- Eldisine
- Symbol(GHS)
- 8 · GHS08,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 318 · H318-H300-H361
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501
- Hazard Codes
- Xn
- Risk Statements
- 40 · 40
- Safety Statements
- 26 · 26-36
- RIDADR
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- YY8090000
- ridadr
- 1544
- Toxicity
- LD50 in mice, rats (mg/kg): 6.3 ± 0.6, 2.0 ± 0.2 i.v. (Todd); in mice: 8.8 ± 2.5 i.p. (Owellen, Biochem. Pharmacol.)
- risk_code
- 40
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS05,GHS06
- hazard_code
- Xn
- safety_code
- 26-36
- hazard_class
- 6.1(a)
- packing_group
- II
- Hazard statements
- H318-H300-H361
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
Usesanticancer
UsesVindesine Sulfate Salt is a synthetic derivative of the dimeric Catharanthus alkaloid vinblastine. Antineoplastic.
Additional notes
DefinitionChEBI: Vindesine sulfate is an alkaloid sulfate salt. It has a role as an antineoplastic agent. It is functionally related to a vindesine.
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