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Details

Stereochemistry ABSOLUTE
Molecular Formula C63H84IN11O23.Ac.5H
Molecular Weight 1720.3684
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Actinium Zadavotide Guraxetan Actinium Ac-225

SMILES

[H+].[H+].[H+].[H+].[H+].[225Ac+3].OC1=CC=C(C[C@@H](NC(=O)CC[C@@H](N2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C([O-])=O)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@H](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O)C=C1I

InChI

InChIKey=KVDCVZAERIJYEN-XRXWOIDUSA-K
InChI=1S/C63H92IN11O23.Ac/c64-42-34-41(18-21-49(42)76)36-46(67-52(79)22-20-48(62(96)97)75-32-30-73(38-55(84)85)28-26-72(37-54(82)83)27-29-74(31-33-75)39-56(86)87)57(88)69-47(35-40-12-4-3-5-13-40)58(89)68-43(59(90)91)14-8-10-24-65-50(77)16-6-1-2-7-17-51(78)66-25-11-9-15-44(60(92)93)70-63(98)71-45(61(94)95)19-23-53(80)81;/h3-5,12-13,18,21,34,43-48,76H,1-2,6-11,14-17,19-20,22-33,35-39H2,(H,65,77)(H,66,78)(H,67,79)(H,68,89)(H,69,88)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H2,70,71,98);/q;+3/p-3/t43-,44+,45+,46-,47-,48-;/m1./s1/i;1-2

HIDE SMILES / InChI

Molecular Formula Ac
Molecular Weight 225.023220576
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C63H89IN11O23
Molecular Weight 1495.3451
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:10:06 GMT 2025
Edited
by admin
on Wed Apr 02 13:10:06 GMT 2025
Record UNII
WAW9659ZJD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Actinium Zadavotide Guraxetan Actinium Ac-225
INN  
Official Name English
(225AC)AC-PSMA-I&T
Preferred Name English
actinium (<sup>225</sup>Ac) zadavotide guraxetan [INN]
INN  
Common Name English
hydrogen (N-{(4R)-4-carboxylato-?O-4-[4,7,10-tris(carboxylato-?O-methyl)-1,4,7,10-tetraazacyclododecan-1-yl-?<sup>4</sup>N<sup>1</sup>,N<sup>4</sup>,N<sup>7</sup>,N<sup>10</sup>]butanoyl}-3-iodo-D -tyrosyl-D -phenylalanyl-N<sup>6</sup>-{8-[N<sup>2</sup>-
Common Name English
Actinate(5-)-<sup>225</sup>Ac, [N-[(4R)-4-(carboxy-?O)-4-[4,7,10-tris[(carboxy-?O)methyl]-1,4,7,10-tetraazacyclododec-1-yl-?N<sup>1</sup>,?N<sup>4</sup>,?N<sup>7</sup>,?N<sup>10</sup>]-1-oxobutyl]-3-iodo-D-tyrosyl-D-phenylalanyl-N<sup>6</sup>-[8-[[(5S)-5
Common Name English
PSMA-I&T AC-225
Common Name English
Code System Code Type Description
INN
13375
Created by admin on Wed Apr 02 13:10:06 GMT 2025 , Edited by admin on Wed Apr 02 13:10:06 GMT 2025
PRIMARY
FDA UNII
WAW9659ZJD
Created by admin on Wed Apr 02 13:10:06 GMT 2025 , Edited by admin on Wed Apr 02 13:10:06 GMT 2025
PRIMARY
CAS
2901793-42-6
Created by admin on Wed Apr 02 13:10:06 GMT 2025 , Edited by admin on Wed Apr 02 13:10:06 GMT 2025
PRIMARY
Related Record Type Details
TARGET->RADIOLIGAND
NON-LABELED -> LABELED
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ACTIVE MOIETY