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

Details

Stereochemistry ABSOLUTE
Molecular Formula C78H115N20O19.Ga
Molecular Weight 1704.8013
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RM-2 GA-68

SMILES

CC(C)C[C@@]([H])([C@]([H])(CC(=N[C@@]([H])(CC(C)C)C(=N)O)[O-])O)N=C([C@]([H])(Cc1cnc[nH]1)N=C(CN=C([C@]([H])(C(C)C)N=C([C@]([H])(C)N=C([C@]([H])(Cc2c[nH]c3ccccc23)N=C([C@]([H])(CCC(=N)[O-])N=C([C@@]([H])(Cc4ccccc4)N=C(CN5CCC(CC5)N=C(CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)O)O)O)O)O)O)O)[O-])O.[Ga+3]

InChI

InChIKey=HPQFXKMKTOABLV-OACIABJLSA-K
InChI=1S/C78H118N20O19.Ga/c1-46(2)31-57(62(99)36-64(101)87-58(72(80)111)32-47(3)4)91-77(116)61(35-53-38-81-45-84-53)88-65(102)39-83-78(117)71(48(5)6)93-73(112)49(7)85-75(114)60(34-51-37-82-55-16-12-11-15-54(51)55)92-74(113)56(17-18-63(79)100)90-76(115)59(33-50-13-9-8-10-14-50)89-67(104)41-94-21-19-52(20-22-94)86-66(103)40-95-23-25-96(42-68(105)106)27-29-98(44-70(109)110)30-28-97(26-24-95)43-69(107)108;/h8-16,37-38,45-49,52,56-62,71,82,99H,17-36,39-44H2,1-7H3,(H2,79,100)(H2,80,111)(H,81,84)(H,83,117)(H,85,114)(H,86,103)(H,87,101)(H,88,102)(H,89,104)(H,90,115)(H,91,116)(H,92,113)(H,93,112)(H,105,106)(H,107,108)(H,109,110);/q;+3/p-3/t49-,56-,57-,58-,59+,60-,61-,62-,71-;/m0./s1/i;1-2

HIDE SMILES / InChI

Approval Year

Name Type Language
RM-2 GA-68
Common Name English
(68GA)DOTA-4-AMINO-1-CARBOXYMETHYLPIPERIDINE-D-PHE-GLN-TRP-ALA-VAL-GLY-HIS-STA-LEU-NH2
Systematic Name English
(68GA)-RM2
Common Name English
BAY-86-7548
Code English
68GA-RM2
Code English
GALLIUM-68GA, (N-(2-(4-((2-(4,10-BIS((CARBOXY-.KAPPA.O)METHYL)-7-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10)ACETYL)AMINO)-1-PIPERIDINYL)ACETYL)-D-PHENYLALANYL-L-GLUTAMINYL-L-TRYPTOPHYL-L-ALANYL-L-VALYLGLYCYL
Systematic Name English
Code System Code Type Description
CAS
1444870-03-4
Created by admin on Sat Jun 26 11:43:40 UTC 2021 , Edited by admin on Sat Jun 26 11:43:40 UTC 2021
PRIMARY
PUBCHEM
72722205
Created by admin on Sat Jun 26 11:43:40 UTC 2021 , Edited by admin on Sat Jun 26 11:43:40 UTC 2021
PRIMARY
FDA UNII
NPI2H5M36D
Created by admin on Sat Jun 26 11:43:40 UTC 2021 , Edited by admin on Sat Jun 26 11:43:40 UTC 2021
PRIMARY