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Details

Stereochemistry ABSOLUTE
Molecular Formula C65H87N14O19S2.Ga
Molecular Weight 1500.527
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GALLIUM OXODOTREOTIDE GA-68

SMILES

[68Ga+3].CC(O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN3CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC3)C(=O)N[C@@H](CC4=CC=C(O)C=C4)C(=O)N[C@H](CC5=CNC6=C5C=CC=C6)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O

InChI

InChIKey=XBJPSVQFCQFGDC-WSCOIBMGSA-K
InChI=1S/C65H90N14O19S2.Ga/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66;/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98);/q;+3/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1/i;1-2

HIDE SMILES / InChI

Molecular Formula C65H87N14O19S2
Molecular Weight 1432.599
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 1
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 Dec 16 01:46:34 UTC 2023
Edited
by admin
on Sat Dec 16 01:46:34 UTC 2023
Record UNII
9L17Y0H71P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GALLIUM OXODOTREOTIDE GA-68
Common Name English
GALLIUM DOTATATE GA-68 [ORANGE BOOK]
Common Name English
DOTATATE GALLIUM GA-68
DASH  
Common Name English
GATATE
Brand Name English
68GA-DOTATATE
Common Name English
GALLIUM DOTATATE GA-68
Common Name English
GALIOMEDIX
Brand Name English
GALLIUM (Ga68) DOTATATE
Common Name English
GALLIUM-DOTA-OCTREOTATE GA-68
Common Name English
GALLIUM 68 DOTATATE
Common Name English
GALLIUM-DOTA-OCTREOTATE, GA-68
Common Name English
GALLIUM DOTATATE, GA-68
Common Name English
GALLIUM GA 68 DOTATATE
Common Name English
[68GA]GALLIUM DOTATATE
Common Name English
DOTA-OCTREOTATE GALLIUM GA-68
Common Name English
Gallium (68Ga) dotatate [WHO-DD]
Common Name English
GALLIUM (68GA) DOTA-TATE
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 404813
Created by admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
NDF-RT N0000177914
Created by admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
Code System Code Type Description
FDA UNII
9L17Y0H71P
Created by admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
PRIMARY
SMS_ID
100000175726
Created by admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
PRIMARY
DRUG CENTRAL
5156
Created by admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
PRIMARY
DAILYMED
9L17Y0H71P
Created by admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
PRIMARY
NCI_THESAURUS
C97661
Created by admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
PRIMARY
LACTMED
Gallium Ga 68 Dotatate
Created by admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
PRIMARY
PUBCHEM
131634491
Created by admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
PRIMARY
DRUG BANK
DB13925
Created by admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
PRIMARY
CAS
1027785-90-5
Created by admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
PRIMARY
NDF-RT
N0000175869
Created by admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
PRIMARY Positron Emitting Activity [MoA]
RXCUI
676679
Created by admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
PRIMARY
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ACTIVE MOIETY