EDOTREOTIDE YTTRIUM Y-90

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H89N14O18S2.Y
Molecular Weight	1508.522
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[90Y+3].C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN3CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC3)C(=O)N[C@@H](CC4=CC=C(O)C=C4)C(=O)N[C@H](CC5=CNC6=C5C=CC=C6)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1

InChI

InChIKey=DUSFGVAHRFYHFD-CEKOMBBOSA-K

InChI=1S/C65H92N14O18S2.Y/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53;/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90);/q;+3/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+;/m1./s1/i;1+1

HIDE SMILES / InChI

Molecular Formula	C65H89N14O18S2
Molecular Weight	1418.615
Charge	-3
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
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 `Fri Dec 15 15:37:33 UTC 2023` Edited by `admin` on `Fri Dec 15 15:37:33 UTC 2023`
Record UNII	ABF7OG3FA3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EDOTREOTIDE YTTRIUM Y-90

Common Name

English

EDOTREOTIDE 90Y CHELATE [MI]

Common Name

English

90YDOTATOC

Common Name

English

YTTRIUM Y-90 N-((4,7,10-TRISCARBOXYMETHYL-1,4,7,10-TETRAAZACYCLODODEC-1-YL)ACETYL)-D-PHE-CYS-TYR-D-TRP-LYS-THR-CYS-THR (2-7)DISULFIDE

Common Name

English

EDOTREOTIDE 90Y CHELATE

Common Name

English

SMT-487 Y-90

Code

English

90Y-DOTA-TYR3-OCTREOTIDE

Common Name

English

YTTRIUM (90Y) EDOTREOTIDE

Common Name

English

DOTATOC YTTRIUM Y-90

Common Name

English

90Y-DOTATOC

Common Name

English

90Y-SMT-487

Code

English

Y-90 DOTA-TYR(3)-OCTREOTIDE

Common Name

English

YTTRIUM Y 90-DOTA-TYR3-OCTREOTIDE

Common Name

English

YTTRIUM Y 90-EDOTREOTIDE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129819