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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H50N8O11S.Lu.H
Molecular Weight 980.846
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOTA-BIOTIN-SARCOSINE LUTETIUM LU-177

SMILES

[H+].[177Lu+3].CN(CC(=O)NC1=CC=C(C[C@H]2CN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CCN2CC([O-])=O)C=C1)C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34

InChI

InChIKey=RNFXYRWAKWDMNH-DVTIELMISA-K
InChI=1S/C36H54N8O11S.Lu/c1-40(30(46)5-3-2-4-28-35-27(23-56-28)38-36(55)39-35)18-29(45)37-25-8-6-24(7-9-25)16-26-17-43(21-33(51)52)13-12-41(19-31(47)48)10-11-42(20-32(49)50)14-15-44(26)22-34(53)54;/h6-9,26-28,35H,2-5,10-23H2,1H3,(H,37,45)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H2,38,39,55);/q;+3/p-3/t26-,27-,28-,35-;/m0./s1/i;1+2

HIDE SMILES / InChI

Molecular Formula Lu
Molecular Weight 176.943754987
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C36H51N8O11S
Molecular Weight 803.902
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:47:24 GMT 2025
Edited
by admin
on Wed Apr 02 12:47:24 GMT 2025
Record UNII
77K44WEQ28
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOTA-BIOTIN-SARCOSINE (DOTA-BIOTIN) LUTETIUM LU-177
Preferred Name English
DOTA-BIOTIN-SARCOSINE LUTETIUM LU-177
Common Name English
1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID, 2-((4-((((5-(HEXAHYDRO-2-OXO-1H-THIENO(3,4-D)IMIDAZOL-4-YL)-1-OXOPENTYL)METHYLAMINO)ACETYL)AMINO)PHENYL)METHYL)-, (3AS-(3A.ALPHA.,4.BETA.(R*),6A.ALPHA.))-, LUTETIUM LU-177
Systematic Name English
Code System Code Type Description
PUBCHEM
155804720
Created by admin on Wed Apr 02 12:47:24 GMT 2025 , Edited by admin on Wed Apr 02 12:47:24 GMT 2025
PRIMARY PUBCHEM
FDA UNII
77K44WEQ28
Created by admin on Wed Apr 02 12:47:24 GMT 2025 , Edited by admin on Wed Apr 02 12:47:24 GMT 2025
PRIMARY
Related Record Type Details
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