U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C49H68N9O16.Ga
Molecular Weight 1107.0448
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VIPIVOTIDE TETRAXETAN GALLIUM GA-68

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.[Ga+3]

InChI

InChIKey=PAXMZYRHVDZFFV-VSVMWJISSA-K
InChI=1S/C49H71N9O16.Ga/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 C49H68N9O16
Molecular Weight 1039.1168
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Ga
Molecular Weight 67.928
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 06:07:50 UTC 2021
Edited
by admin
on Sat Jun 26 06:07:50 UTC 2021
Record UNII
7P5C02S4X8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VIPIVOTIDE TETRAXETAN GALLIUM GA-68
Common Name English
GALLATE(3-)-68GA, (N6-(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,KN10)ACETYL-.KAPPA.O)AMINO)METHYL)CYCLOHEXYL)CARBONYL)-3-(2-NAPHTHALENYL)-L-ALANYL)-N2-((((1S)-1,3-DICARBOXYPROP
Systematic Name English
PSMA-617 GA-68
Common Name English
68GA-PSMA-617
Common Name English
Code System Code Type Description
CAS
2247839-19-4
Created by admin on Sat Jun 26 06:07:50 UTC 2021 , Edited by admin on Sat Jun 26 06:07:50 UTC 2021
PRIMARY
FDA UNII
7P5C02S4X8
Created by admin on Sat Jun 26 06:07:50 UTC 2021 , Edited by admin on Sat Jun 26 06:07:50 UTC 2021
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
PARENT -> SALT/SOLVATE
TARGET->RADIOLIGAND
Related Record Type Details
ACTIVE MOIETY