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Details

Stereochemistry ABSOLUTE
Molecular Formula C70H92N15O17S2.Y
Molecular Weight 1569.607
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Y-90 DOTA-LANREOTIDE

SMILES

[90Y+3].CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)CN7CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC7

InChI

InChIKey=HWJGMDVDCJAKEI-YZDGAQAWSA-K
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

HIDE SMILES / InChI

Molecular Formula Y
Molecular Weight 89.9072
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C70H92N15O17S2
Molecular Weight 1479.7
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:45:02 GMT 2023
Edited
by admin
on Fri Dec 15 15:45:02 GMT 2023
Record UNII
Z6G1W1L2KQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Y-90 DOTA-LANREOTIDE
Common Name English
Y90-1,4,7,10-TETRAAZACYCLODODECANE-N,N,N,N-TETRAACETIC ACID-LANREOTIDE (DOTA-LAN)
Common Name English
Code System Code Type Description
CAS
213187-51-0
Created by admin on Fri Dec 15 15:45:02 GMT 2023 , Edited by admin on Fri Dec 15 15:45:02 GMT 2023
PRIMARY
PUBCHEM
91668166
Created by admin on Fri Dec 15 15:45:02 GMT 2023 , Edited by admin on Fri Dec 15 15:45:02 GMT 2023
PRIMARY
FDA UNII
Z6G1W1L2KQ
Created by admin on Fri Dec 15 15:45:02 GMT 2023 , Edited by admin on Fri Dec 15 15:45:02 GMT 2023
PRIMARY