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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H60N6O17.Al.F
Molecular Weight 989.9614
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GOZETOTIDE ALF-18

SMILES

C(CCC(=NCCCC[C@@]([H])(C(=O)O)N=C(N[C@@]([H])(CCC(=O)O)C(=O)O)O)[O-])CCN=C(CCc1ccc(c(c1)CN(CCN(Cc2cc(ccc2[O-])CCC(=O)O)CC(=O)O)CC(=O)O)[O-])O.[Al+3].F

InChI

InChIKey=XIWCYNLURQSGJS-OECGVUFTSA-K
InChI=1S/C44H62N6O17.Al.FH/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58;;/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67);;1H/q;+3;/p-3/t32-,33-;;/m0../s1/i;;1-1

HIDE SMILES / InChI

Molecular Formula C44H59N6O17
Molecular Weight 943.971
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula FH
Molecular Weight 19.0089
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Al
Molecular Weight 26.9815
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:10:30 UTC 2021
Edited
by admin
on Sat Jun 26 00:10:30 UTC 2021
Record UNII
J1W7SQ7GC4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GOZETOTIDE ALF-18
Common Name English
PSMA-HBED-CC ALF-18
Common Name English
18F-PSMA
Common Name English
AL(18F)PSMA-11
Common Name English
(AL18F)PSMA-HBED
Common Name English
18F-PSMA-11
Common Name English
ALUMINUM N-(5-(2-CARBOXYETHYL)-2-HYDROXYBENZYL)-N-(2-((CARBOXYLATOMETHYL)(2-HYDROXY-5-((3S,7S)-1,3,7-TRICARBOXY-5,13,20-TRIOXO-4,6,12,19-TETRAAZADOCOSAN-22-YL)BENZYL)AMINO)ETHYL)GLYCINATE FLUORIDE-28F
Systematic Name English
Code System Code Type Description
FDA UNII
J1W7SQ7GC4
Created by admin on Sat Jun 26 00:10:30 UTC 2021 , Edited by admin on Sat Jun 26 00:10:30 UTC 2021
PRIMARY
PUBCHEM
139593469
Created by admin on Sat Jun 26 00:10:30 UTC 2021 , Edited by admin on Sat Jun 26 00:10:30 UTC 2021
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
TARGET->RADIOLIGAND
Related Record Type Details
ACTIVE MOIETY