YTTRIUM (90Y) ANDITIXAFORTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C60H76IN14O14.Y
Molecular Weight	1434.1425
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of YTTRIUM (90Y) ANDITIXAFORTIDE

Structure Search

SMILES

[90Y+3].[H][C@]2(CC1=CC(I)=C(O)C=C1)NC(=O)CNC(=O)[C@H](CC3=CC4=C(C=CC=C4)C=C3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(=O)C5=CC=C(CNC(=O)CN6CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC6)C=C5)N(C)C2=O

InChI

InChIKey=OCTDAUASUALIGQ-RZPZBEGWSA-K

InChI=1S/C60H79IN14O14.Y/c1-71-48(9-5-18-64-55(85)42-15-10-38(11-16-42)32-66-51(78)34-72-20-22-73(35-52(79)80)24-26-75(37-54(83)84)27-25-74(23-21-72)36-53(81)82)58(88)69-45(8-4-19-65-60(62)63)57(87)70-46(30-39-12-14-41-6-2-3-7-43(41)28-39)56(86)67-33-50(77)68-47(59(71)89)31-40-13-17-49(76)44(61)29-40;/h2-3,6-7,10-17,28-29,45-48,76H,4-5,8-9,18-27,30-37H2,1H3,(H,64,85)(H,66,78)(H,67,86)(H,68,77)(H,69,88)(H,70,87)(H,79,80)(H,81,82)(H,83,84)(H4,62,63,65);/q;+3/p-3/t45-,46-,47+,48+;/m0./s1/i;1+1

HIDE SMILES / InChI

Molecular Formula	C60H76IN14O14
Molecular Weight	1344.2353
Charge	-3
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Y
Molecular Weight	89.9072
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 18:12:06 GMT 2023` Edited by `admin` on `Sat Dec 16 18:12:06 GMT 2023`
Record UNII	QQV3T7MU5Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

YTTRIUM (90Y) ANDITIXAFORTIDE

Official Name

English

yttrium (⁹⁰Y) anditixafortide [INN]

Common Name

English

YTTRIUM-90Y, (CYCLO(3-(2-NAPHTHALENYL)-L-ALANYLGLYCYL-3-IODO-D-TYROSYL-N2-METHYL-N6-(4-(((2-(4,7,10-TRIS((CARBOXY-.KAPPA.O)METHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10)ACETYL-.KAPPA.O)AMINO)METHYL)BENZOYL)-D-LYSYL-L-A

Common Name

English

Code System Code Type Description

CAS

2523043-21-0