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Substance Name: Di-(2S,4E)-N-methyl-5-(5-(1-methylethoxy)-3-pyridinyl)-4-penten-2-amine 2,3-bis((2S,3S)-(4-methylbenzoyl)oxy)butanedioate
RN: 391624-57-0
UNII: 5VR47NS2J2
InChIKey: YDGYVSAETINUCS-IANJVSEGSA-N

Molecular Formula

  • C20-H18-O8.2C14-H22-N2-O

Molecular Weight

  • 855.0358
 
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Names and Synonyms

Name of Substance

  • Di-(2S,4E)-N-methyl-5-(5-(1-methylethoxy)-3-pyridinyl)-4-penten-2-amine 2,3-bis((2S,3S)-(4-methylbenzoyl)oxy)butanedioate

Synonyms

  • 2,3-Bis((4-methylbenzoyl)oxy)butanedioic acid, (2S,3S)-, compd. with (2S,4E)-N-methyl-5-(5-(1-methylethoxy)-3-pyridinyl)-4-penten-2-amine (1:2)
  • Butanedioic acid, 2,3-bis((4-methylbenzoyl)oxy)-, (2S,3S)-, compd. with (2S,4E)-N-methyl-5-(5-(1-methylethoxy)-3-pyridinyl)-4-penten-2-amine (1:2)
  • Di-(2S,4E)-N-methyl-5-(5-(1-methylethoxy)-3-pyridinyl)-4-penten-2-amine 2,3-bis((2S,3S)-(4-methylbenzoyl)oxy)butanedioate
  • UNII-5VR47NS2J2

Registry Numbers

CAS Registry Number

  • 391624-57-0

FDA UNII

  • 5VR47NS2J2

System Generated Number

  • 0391624570

Structure Descriptors

InChI

1S/C20H18O8.2C14H22N2O/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;2*1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);2*5,7-12,15H,6H2,1-4H3/b;2*7-5+/t15-,16-;2*12-/m000/s1

InChIKey

YDGYVSAETINUCS-IANJVSEGSA-N

Smiles

Cc1ccc(cc1)C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(cc2)C)C(=O)O.C[C@H](NC)C/C=C/c1cncc(c1)OC(C)C.C[C@H](NC)C/C=C/c1cncc(c1)OC(C)C