Chemical Compound

Aecep-NAD

CAS Registry Number 95754-66-8
Aecep-NAD chemical structure
Primary Record

Aecep-NAD

In stock
2,934 g
Purity
98.9 %
CAS
95754-66-8

Compound Identifiers & Properties

CAS
95754-66-8
PubChem CID
125837
SMILES
C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)OCCC(=O)NCCN)O)O)[O-])C(=O)N
Canonical SMILES
NCCNC(=O)CCOP(=O)(O)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(N)=O)c3)[C@H]([O-])[C@@H]2O)O[C@H]1n1cnc2c(N)ncnc21

Names & Synonyms

  • Aecep-NAD
  • RefChem:80411
  • AC1L2PA2
  • CID125837
  • 2'-O-(N-(2-Aminoethyl)carbamoylethyl)phosphono-NAD
  • 95754-66-8
  • Adenosine 5'-(trihydrogen diphosphate), 3-(2-(4-azido-3-(iodo-125I)phenyl)ethyl)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-, (6R-(3(1S*,2R*),6alpha,7beta(R*)))-
  • (2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-4-[[3-(2-aminoethylamino)-3-oxopropoxy]-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate