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Details

Stereochemistry ABSOLUTE
Molecular Formula C65H91N17O16S2.Pb
Molecular Weight 1642.644
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOTAMTATE PB-212

SMILES

[212PbH2++].[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)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([O-])=O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC6)[C@@H](C)O

InChI

InChIKey=NJDBZBNMSZJRQI-QSENTIOJSA-L
InChI=1S/C65H93N17O16S2.Pb.2H/c1-38(83)56-64(96)76-51(63(95)78-57(39(2)84)65(97)98)37-100-99-36-50(75-59(91)47(28-40-10-4-3-5-11-40)71-55(89)35-82-26-24-80(33-53(68)87)22-20-79(32-52(67)86)21-23-81(25-27-82)34-54(69)88)62(94)73-48(29-41-15-17-43(85)18-16-41)60(92)74-49(30-42-31-70-45-13-7-6-12-44(42)45)61(93)72-46(58(90)77-56)14-8-9-19-66;;;/h3-7,10-13,15-18,31,38-39,46-51,56-57,70,83-85H,8-9,14,19-30,32-37,66H2,1-2H3,(H2,67,86)(H2,68,87)(H2,69,88)(H,71,89)(H,72,93)(H,73,94)(H,74,92)(H,75,91)(H,76,96)(H,77,90)(H,78,95)(H,97,98);;;/q;+2;;/p-2/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;;;/m1.../s1/i;1+5;;

HIDE SMILES / InChI

Approval Year

Name Type Language
DOTAMTATE PB-212
Common Name English
ALPHAMEDIX
Brand Name English
212PB-DOTAMTATE
Common Name English
DOTAMTATE LEAD PB-212
Common Name English
LEAD-212 DOTAMTATE
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 653318
Created by admin on Sat Dec 16 14:20:48 GMT 2023 , Edited by admin on Sat Dec 16 14:20:48 GMT 2023
Code System Code Type Description
FDA UNII
E9N7QV53AK
Created by admin on Sat Dec 16 14:20:48 GMT 2023 , Edited by admin on Sat Dec 16 14:20:48 GMT 2023
PRIMARY
PUBCHEM
135391001
Created by admin on Sat Dec 16 14:20:48 GMT 2023 , Edited by admin on Sat Dec 16 14:20:48 GMT 2023
PRIMARY