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Substance Name: Galactaric acid, compound with 5-(3-(tert-butylamino)-2-hydroxypropoxy)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde (1:2)
RN: 63614-17-5
InChIKey: IGSQUFOJEMOLQZ-IBGZLQDMSA-N

Molecular Formula

  • C17-H26-N2-O3.1/2C6-H10-O8

Molecular Weight

  • 822.9438
 
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Names and Synonyms

Synonym

  • EINECS 264-366-5

Systematic Name

  • Galactaric acid, compound with 5-(3-(tert-butylamino)-2-hydroxypropoxy)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde (1:2)

Registry Numbers

CAS Registry Number

  • 63614-17-5

System Generated Number

  • 0063614175

Molecular Formulas

Molecular Formula

  • C17-H26-N2-O3.1/2C6-H10-O8

Molecular Formula Fragments

  • C17-H26-N2-O3
  • C6-H10-O8
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H26N2O3.C6H10O8/c2*1-17(2,3)18-9-14(21)11-22-16-6-4-5-13-10-19(12-20)8-7-15(13)16;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*4-6,12,14,18,21H,7-11H2,1-3H3;1-4,7-10H,(H,11,12)(H,13,14)/t;;1-,2+,3+,4-

InChIKey

IGSQUFOJEMOLQZ-IBGZLQDMSA-N

Smiles

CC(C)(C)NCC(COc1cccc2c1CCN(C2)C=O)O.CC(C)(C)NCC(COc1cccc2c1CCN(C2)C=O)O.[C@@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O