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Details

Stereochemistry ABSOLUTE
Molecular Formula C49H68N9O16.Lu
Molecular Weight 1216.0606
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LUTETIUM LU-177 VIPIVOTIDE TETRAXETAN

SMILES

c1ccc2cc(ccc2c1)C[C@@]([H])(C(=NCCCC[C@@]([H])(C(=O)O)N=C(N[C@@]([H])(CCC(=O)[O-])C(=O)O)O)O)N=C([C@@]3([H])CC[C@@]([H])(CC3)CN=C(CN4CCN(CCN(CCN(CC4)CC(=O)[O-])CC(=O)O)CC(=O)O)[O-])O.[Lu+3]

InChI

InChIKey=RSTDSVVLNYFDHY-BGOLSCJMSA-K
InChI=1S/C49H71N9O16.Lu/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61;/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74);/q;+3/p-3/t32-,35-,37-,38-,39-;/m0./s1/i;1+2

HIDE SMILES / InChI

Molecular Formula Lu
Molecular Weight 176.9438
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C49H68N9O16
Molecular Weight 1039.1168
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 03:51:57 UTC 2021
Edited
by admin
on Sat Jun 26 03:51:57 UTC 2021
Record UNII
G6UF363ECX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LUTETIUM LU-177 VIPIVOTIDE TETRAXETAN
Common Name English
LUTETATE(3-)-177LU, (N-((((1S)-1-CARBOXY-5-(((2S)-3-(2-NAPHTHALENYL)-1-OXO-2-(((TRANS-4-(((2-(4,7,10-TRIS((CARBOXY-.KAPPA.O)METHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10)ACETYL-.KAPPA.O)AMINO)METHYL)CYCLOHEXYL)CARBONYL
Systematic Name English
VIPIVOTIDE TETRAXETAN LUTETIUM LU-177
Common Name English
LUTETATE(3-)-177LU, (N2-((((1S)-1,3-DICARBOXYPROPYL)AMINO)CARBONYL)-N6-(3-(2-NAPHTHALENYL)-N-((TRANS-4-(((2-(4,7,10-TRIS((CARBOXY-.KAPPA.O)METHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10)ACETYL-.KAPPA.O)AMINO)METHYL)CYCL
Systematic Name English
PSMA-617 LU-177
Common Name English
LUTETIUM (177LU) VIPIVOTIDE TETRAXETAN
INN  
Official Name English
LUTETIUM (177LU) VIPIVOTIDE TETRAXETAN [INN]
Common Name English
VIPIVOTIDE TETRAXETAN LU-177
Common Name English
177LU-PSMA-617
Common Name English
177LU-LABELED PSMA-617
Code English
Code System Code Type Description
CAS
1703749-62-5
Created by admin on Sat Jun 26 03:51:57 UTC 2021 , Edited by admin on Sat Jun 26 03:51:57 UTC 2021
PRIMARY
NCI_THESAURUS
C148145
Created by admin on Sat Jun 26 03:51:57 UTC 2021 , Edited by admin on Sat Jun 26 03:51:57 UTC 2021
PRIMARY
CAS
1983157-55-6
Created by admin on Sat Jun 26 03:51:57 UTC 2021 , Edited by admin on Sat Jun 26 03:51:57 UTC 2021
SUPERSEDED
PUBCHEM
122706785
Created by admin on Sat Jun 26 03:51:57 UTC 2021 , Edited by admin on Sat Jun 26 03:51:57 UTC 2021
PRIMARY
CAS
2256045-94-8
Created by admin on Sat Jun 26 03:51:57 UTC 2021 , Edited by admin on Sat Jun 26 03:51:57 UTC 2021
ALTERNATIVE
FDA UNII
G6UF363ECX
Created by admin on Sat Jun 26 03:51:57 UTC 2021 , Edited by admin on Sat Jun 26 03:51:57 UTC 2021
PRIMARY
EVMPD
SUB195401
Created by admin on Sat Jun 26 03:51:57 UTC 2021 , Edited by admin on Sat Jun 26 03:51:57 UTC 2021
PRIMARY
INN
11429
Created by admin on Sat Jun 26 03:51:57 UTC 2021 , Edited by admin on Sat Jun 26 03:51:57 UTC 2021
PRIMARY
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PARENT -> SALT/SOLVATE
TARGET->RADIOLIGAND
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ACTIVE MOIETY