GALLIUM (68GA) BOCLATIXAFORTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C60H77N14O14.Ga
Molecular Weight	1286.2668
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GALLIUM (68GA) BOCLATIXAFORTIDE

Structure Search

SMILES

[68Ga+3].CN1[C@H](CCCNC(=O)C2=CC=C(CNC(=O)CN3CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC3)C=C2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC4=CC5=C(C=CC=C5)C=C4)C(=O)NCC(=O)N[C@H](CC6=CC=C(O)C=C6)C1=O

InChI

InChIKey=CUSSKFGZGIXQLJ-PTCLTSPUSA-K

InChI=1S/C60H80N14O14.Ga/c1-70-49(9-5-20-63-55(84)43-16-10-40(11-17-43)33-65-51(77)35-71-22-24-72(36-52(78)79)26-28-74(38-54(82)83)29-27-73(25-23-71)37-53(80)81)58(87)68-46(8-4-21-64-60(61)62)57(86)69-47(32-41-12-15-42-6-2-3-7-44(42)30-41)56(85)66-34-50(76)67-48(59(70)88)31-39-13-18-45(75)19-14-39;/h2-3,6-7,10-19,30,46-49,75H,4-5,8-9,20-29,31-38H2,1H3,(H,63,84)(H,65,77)(H,66,85)(H,67,76)(H,68,87)(H,69,86)(H,78,79)(H,80,81)(H,82,83)(H4,61,62,64);/q;+3/p-3/t46-,47-,48+,49+;/m0./s1/i;1-2

HIDE SMILES / InChI

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

Molecular Formula	C60H77N14O14
Molecular Weight	1218.3388
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 Dec 16 14:15:00 UTC 2023` Edited by `admin` on `Sat Dec 16 14:15:00 UTC 2023`
Record UNII	Y92N1ZLI87
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GALLIUM (68GA) BOCLATIXAFORTIDE

Official Name

English

PENTIXAFOR GALLIUM GA-68

Common Name

English

GALLIUM BOCLATIXAFORTIDE GA-68

Common Name

English

GALLIUM-68GA, (CYCLO(3-(2-NAPHTHALENYL)-L-ALANYLGLYCYL-D-TYROSYL-N2-METHYL-N5-(4-(((2-(4,7,10-TRIS((CARBOXY-.KAPPA.O)METHYL)-1,4,7,10-TETRAAZADODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10)ACETYL)AMINO)METHYL)BENZOYL)-D-ORNITHYL-L-ARGINYLATO(3-)))-

Systematic Name

English

(68GA)PENTIXAFOR

Common Name

English

[68Ga]Ga-PentixaFor

Common Name

English

GA-68 PENTIXAFOR

Common Name

English

68GA-CPCR4-2

Code

English

gallium (⁶⁸Ga) boclatixafortide [INN]

Common Name

English

CPCR4-2 GA-68

Common Name

English

Code System Code Type Description

CAS

2356354-82-8