Chemical Compound

Dotatate acetate

CAS Registry Number 177943-89-4
Dotatate acetate chemical structure
Primary Record

Dotatate acetate

In stock
7,699 g
Purity
99.3 %
CAS
177943-89-4

Compound Identifiers & Properties

CAS
177943-89-4
PubChem CID
131698128
SMILES
C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)O.CC(=O)O
Canonical SMILES
CC(=O)O.C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O

Names & Synonyms

  • Dotatate acetate
  • DOTA-TATE acetate
  • DOTATATE (acetate)
  • DOTA-(Tyr3)-Octreotate acetate
  • orb1691498
  • DOTA-(Tyr3)-Octreotate acetate salt
  • 177943-89-4
  • EX-A9168
  • L-Lysine-13C6,15N2 hydrochloride
  • MFCD09039058
  • AC-38397
  • FD109795
  • G13545
  • 2,2',2''-(10-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-Indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((1S,2R)-1-carboxy-2-hydroxypropyl)carbamoyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid xacetate salt
  • DOTATATE, DOTA-(Tyr(3),Thr?)-Octreotide, DOTA-[Tyr3] Octreotide Acid (Octreotate)
  • 1200447-00-2
  • L-Lysine-1,2,3,4,5,6-13C6-N2,N6-15N2, Hydrochloride; (S)-2,6-Diaminohexanoic acid-13C6,15N2 hydrochloride; 13C and 15N Labeled Lys; 13C and 15N Labeled Lysine Hydrochloride; SILAC Amino Acid;
  • L-Threonine, N-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2-->7)-disulfide, acetate (salt) (9CI)