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Substance Name: Y-90 Dota-lanreotide
RN: 213187-51-0
UNII: Z6G1W1L2KQ
InChIKey: HWJGMDVDCJAKEI-YZDGAQAWSA-K

Molecular Formula

  • C70-H92-N15-O17-S2.Y

Molecular Weight

  • 1569.7168
 
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Names and Synonyms

Name of Substance

  • Y-90 Dota-lanreotide

Synonyms

  • UNII-Z6G1W1L2KQ
  • Y-90 Dota-lanreotide
  • Y90-1,4,7,10-Tetraazacyclododecane-N,N,N,N-tetraacetic acid-lanreotide (dota-lan)

Registry Numbers

CAS Registry Number

  • 213187-51-0

FDA UNII

  • Z6G1W1L2KQ

System Generated Number

  • 0213187510

Structure Descriptors

InChI

1S/C70H95N15O17S2.Y/c1-41(2)61-70(102)79-56(69(101)81-62(42(3)86)63(72)95)40-104-103-39-55(68(100)76-53(31-43-16-19-48(87)20-17-43)66(98)77-54(33-47-34-73-50-13-7-6-12-49(47)50)67(99)75-51(64(96)80-61)14-8-9-21-71)78-65(97)52(32-44-15-18-45-10-4-5-11-46(45)30-44)74-57(88)35-82-22-24-83(36-58(89)90)26-28-85(38-60(93)94)29-27-84(25-23-82)37-59(91)92;/h4-7,10-13,15-20,30,34,41-42,51-56,61-62,73,86-87H,8-9,14,21-29,31-33,35-40,71H2,1-3H3,(H2,72,95)(H,74,88)(H,75,99)(H,76,100)(H,77,98)(H,78,97)(H,79,102)(H,80,96)(H,81,101)(H,89,90)(H,91,92)(H,93,94);/q;+3/p-3/t42-,51+,52-,53+,54-,55-,56+,61+,62+;/m1./s1/i;1+1

InChIKey

HWJGMDVDCJAKEI-YZDGAQAWSA-K

Smiles

C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccc(cc4)O)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)CN7CCN(CCN(CCN(CC7)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[90Y+3]