Chemical Compound

DTXSID20999987

CAS Registry Number 78744-69-1
DTXSID20999987 chemical structure
Primary Record

DTXSID20999987

In stock
9,586 g
Purity
99.0 %
CAS
78744-69-1

Compound Identifiers & Properties

CAS
78744-69-1
PubChem CID
24884042
SMILES
CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=C5C=C(C=C6)Br)C)C4O)CC(CN7CCCCC7)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O
Canonical SMILES
CC[C@H]1C2C[C@H]3[C@@H]4N(C)c5ccc(Br)cc5C45C[C@@H](C2C5O)[N+]3(CC(O)CN2CCCCC2)[C@@H]1O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[C@H](O)[C@@H](O)C(=O)O

Names & Synonyms

  • DTXSID20999987
  • CID3061146
  • C28H41BrN3O3.C4H6O6.C4H5O6
  • C28-H41-Br-N3-O3.C4-H6-O6.C4-H5-O6
  • N(sub b)-(2-Hydroxy-3-(1-piperidinyl)propyl)-10-bromosandwicinium bishydrogen tartrate
  • 78744-69-1
  • (16xi)-10-Bromo-17,21alpha-dihydroxy-4-[2-hydroxy-3-(piperidin-1-yl)propyl]ajmalan-4-ium (2R,3R)-3-carboxy-2,3-dihydroxypropanoate--(2R,3R)-2,3-dihydroxybutanedioic acid (1/1/1)
  • 10-Bromo-17,21-dihydroxy-4-[2-hydroxy-3-(piperidin-1-yl)propyl]ajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate--2,3-dihydroxybutanedioic acid (1/1/1)
  • Ajmalanium, 10-bromo-17,21-dihydroxy-4-(2-hydroxy-3-(1-piperidinyl)-propyl)-, (17S,21-alpha)-,salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid, (R-(R*,R*))-2,3-dihydroxybutanedioate(salt) (1:1:1)