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Details

Stereochemistry ABSOLUTE
Molecular Formula C60H77N14O14.Ga
Molecular Weight 1288.062
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GALLIUM BOCLATIXAFORTIDE

SMILES

[Ga+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-VIJMLNJNSA-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

HIDE SMILES / InChI

Molecular Formula Ga
Molecular Weight 69.723
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 14:02:33 GMT 2023
Edited
by admin
on Sat Dec 16 14:02:33 GMT 2023
Record UNII
1XQX0T8D0Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GALLIUM BOCLATIXAFORTIDE
Common Name English
PENTIXAFOR GALLIUM
Common Name English
Code System Code Type Description
PUBCHEM
54575321
Created by admin on Sat Dec 16 14:02:33 GMT 2023 , Edited by admin on Sat Dec 16 14:02:33 GMT 2023
PRIMARY
FDA UNII
1XQX0T8D0Z
Created by admin on Sat Dec 16 14:02:33 GMT 2023 , Edited by admin on Sat Dec 16 14:02:33 GMT 2023
PRIMARY
CAS
1342253-77-3
Created by admin on Sat Dec 16 14:02:33 GMT 2023 , Edited by admin on Sat Dec 16 14:02:33 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
PARENT -> SALT/SOLVATE