VIPIVOTIDE TETRAXETAN ACTINIUM AC-225

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H68N9O16.2Ac
Molecular Weight	1491.138
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VIPIVOTIDE TETRAXETAN ACTINIUM AC-225

Structure Search

SMILES

[Ac].[225Ac+3].OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](CC1=CC=C2C=CC=CC2=C1)NC(=O)[C@H]3CC[C@H](CNC(=O)CN4CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC4)CC3)C(O)=O)C(O)=O

InChI

InChIKey=SCCPRXDYOCIANV-DDIUIKNQSA-K

InChI=1S/C49H71N9O16.2Ac/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61;;/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74);;/q;+3;/p-3/t32-,35-,37-,38-,39-;;/m0../s1/i;1-2;

HIDE SMILES / InChI

Molecular Formula	Ac
Molecular Weight	227.0
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C49H68N9O16
Molecular Weight	1039.1149
Charge	-3
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Ac
Molecular Weight	225.0232
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 16:11:02 UTC 2023` Edited by `admin` on `Sat Dec 16 16:11:02 UTC 2023`
Record UNII	UH4J18XEL3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VIPIVOTIDE TETRAXETAN ACTINIUM AC-225

Common Name

English

ACTINIUM (225AC) PSMA-617

Common Name

English

Actinium (225Ac) PSMA-617 [WHO-DD]

Common Name

English

ACTINATE(3-)-225AC, (N6-(N-((TRANS-4-(((2-(4,7,10-TRIS((CARBOXY-.KAPPA.O)METHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,KN10)ACETYL-.KAPPA.O)AMINO)METHYL)CYCLOHEXYL)CARBONYL)-3-(2-NAPHTHALENYL)-L-ALANYL)-N2-((((1S)-1,3-DICARBOXYPR

Common Name

English

Code System Code Type Description

FDA UNII

UH4J18XEL3

Created by admin on Sat Dec 16 16:11:02 UTC 2023 , Edited by admin on Sat Dec 16 16:11:02 UTC 2023

PRIMARY

CAS

2247839-16-1

Created by admin on Sat Dec 16 16:11:02 UTC 2023 , Edited by admin on Sat Dec 16 16:11:02 UTC 2023

PRIMARY

SMS_ID