Chemical Compound

2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium-90(3+)

CAS Registry Number 322407-70-5
2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium-90(3+) 结构式
Primary record

2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium-90(3+)

库存
6,753 克
纯度
98.3 %
CAS
322407-70-5

化合物标识与属性

CAS
322407-70-5
PubChem CID
15605154
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](CO)[C@@H](C)O)O.[90Y+3]
Canonical SMILES
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O.[90Y+3]

名称与同义词

  • Edotreotide yttrium Y-90
  • OctreoTher
  • 90ydotatoc
  • Onalta
  • 90Y-DOTATOC
  • Yttrium 90Y edotreotide
  • Dotatoc yttrium y-90
  • UNII-ABF7OG3FA3
  • ABF7OG3FA3
  • Yttrium Y 90-edotreotide
  • Edotreotide 90y chelate
  • Yttrium (90Y) edotreotide
  • 90y-dota-tyr3-octreotide
  • Edotreotide 90Y chelate [MI]
  • Y(III)-DOTATOC
  • 90Y-DOTA-3-Tyr-octreotide
  • RefChem:136299
  • DOTATOC-90Y
  • yttrium Y 90 edotreotide
  • Yttrium Y 90-DOTATOC
  • 90Y-SMT-487
  • 90Y-SMT487
  • Y-90 dota-tyr(3)-octreotide
  • Yttrium Y 90 SMT 487
  • ((90)yttrium-DOTA)-TOC
  • SCHEMBL29760280
  • YTTRIUM (90 Y) DOTATOC
  • 90Y-octroetide, DOTA-tyrosyl(3)-
  • SMT-487 Y-90
  • (90Y-DOTA(0),Tyr(3))octreotide
  • 90Y-octreotide, DOTA-Tyr(3)-
  • (90Y-DTPA(0), Tyr(3))octreotide
  • 90Y-octreotide, DTPA(0)-Tyr(3)-
  • 90Y-octreotide, DTPA(0)-tyrosyl(3)-
  • CID15605154
  • CID 15605154
  • CID:15605154
  • SID:134221894
  • Yttrium Y 90-DOTA-3-tyrosine-octreotide
  • YTTRIUM Y 90-DOTA-TYR3-OCTREOTIDE
  • 322407-70-5
  • C496730
  • Q27273846
  • Yttrium Y-90 N-((4,7,10-triscarboxymethyl-1,4,7,10-tetraazacyclododec-1-yl)acetyl)-D-phe-CYS-tyr-D-trp-lys-thr-CYS-thr (2-7)disulfide
  • 2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium-90(3+)