(2'beta)-22-Oxovincaleukoblastine sulfate (1:1) | CAS No. 2068-78-2

(2'beta)-22-Oxovincaleukoblastine sulfate (1:1)

Basic Information

CAS Number

2068-78-2

Molecular Formula

C46H58N4O14S

Molecular Weight

923.05 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

273-281 ºC

Boiling Point

273-281 °C

Water Solubility

>=1 g/100 mL at 24 ºC

Solubility

methanol: soluble20mg/mL

Specific Rotation

D26 +8.5° (c = 0.8)

CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O

InChI

InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1

InChIKey

AQTQHPDCURKLKT-JKDPCDLQSA-N

LogP

2.8647000000000036

Topological Polar Surface Area

245.76999999999995 Ų

Hydrogen Bond Donor/Acceptor

5 / 18

Complexity

1830

Safety Information

View Safety Information

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral
H341 Suspected of causing genetic defects
Germ cell mutagenicity
H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Storage Conditions

-20℃

Synonyms & References

English

  • Oncovin
  • Vincristine sulfate
  • Marqibo Kit
  • 1217704-93-2
  • Vincristine sulfate (JP17/USP)
  • 2068-78-2
  • DES-NA-METHYL-NA-FORMYLVINBLASTINE SULPHATE
  • HMS3414L13
  • Novopharm
  • Onkovin
  • VINCRISTINE SULFATE (MART.)
  • Vincrex (TN)
  • Oncovin (Lilly)
  • A936684
  • DTXSID8044331
  • VCR sulfate
  • VCR SULPHATE
  • LCR
  • D02197
  • Oncovin (TN)
  • VINCRISTINE SULFATE (IARC)
  • Vincrisul
  • Vincasar (TN)
  • VINCRISTINE SULFATE (USP MONOGRAPH)
  • Leurocristine, sulfate (1:1) (salt)
  • MLS002702994
  • VCR
  • Vincristine Sulfate PFS
  • CHEMBL501867
  • Leurocristine, sulfate
  • LCR SULPHATE

MDL Number

MFCD08706469

Customs Code

2942000000

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