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Substance Name: Vinglycinate sulfate [USAN]
RN: 7281-31-4
UNII: X1J761618A
InChIKey: DVPVGSLIUJPOCJ-XXRQFBABSA-N

Classification Code

  • Antineoplastic

Molecular Formula

  • C48-H63-N5-O9.3/2H2-O4-S

Molecular Weight

  • 2002.3368
 
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Names and Synonyms

Name of Substance

  • Vinglycinate sulfate [USAN]

Synonyms

  • 4-Deacetylvincaleukoblastine 4-(N,N-dimethylglycinate) (ester) sulfate (2:3) (salt)
  • 49040
  • Lilly 49040
  • UNII-X1J761618A
  • Vinglycinate sulfate
  • Vinyglycinate sulfate

Systematic Name

  • Vincaleukoblastine, 26-(dimethylamino)-, sulfate (2:3) (salt)

Registry Numbers

CAS Registry Number

  • 7281-31-4

FDA UNII

  • X1J761618A

System Generated Number

  • 0007281314

Molecular Formulas

Molecular Formula

  • C48-H63-N5-O9.3/2H2-O4-S

Molecular Formula Fragments

  • C48-H63-N5-O9
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C48H63N5O9.3H2O4S/c2*1-9-44(57)24-29-25-47(42(55)60-7,38-31(16-20-52(26-29)28-44)30-14-11-12-15-34(30)49-38)33-22-32-35(23-36(33)59-6)51(5)40-46(32)18-21-53-19-13-17-45(10-2,39(46)53)41(48(40,58)43(56)61-8)62-37(54)27-50(3)4;3*1-5(2,3)4/h2*11-15,17,22-23,29,39-41,49,57-58H,9-10,16,18-21,24-28H2,1-8H3;3*(H2,1,2,3,4)/t2*29-,39-,40+,41+,44-,45+,46+,47-,48-;;;/m00.../s1

InChIKey

DVPVGSLIUJPOCJ-XXRQFBABSA-N

Smiles

CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)CN(C)C)CC)C)C(=O)OC)O.CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)CN(C)C)CC)C)C(=O)OC)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O