DOTA-BIOTIN-SARCOSINE LUTETIUM LU-177

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H50N8O11S.Lu.H
Molecular Weight	980.846
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOTA-BIOTIN-SARCOSINE LUTETIUM LU-177

Structure Search

SMILES

[H+].[177Lu+3].[H][C@]12CS[C@@H](CCCCC(=O)N(C)CC(=O)NC3=CC=C(C[C@H]4CN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CCN4CC([O-])=O)C=C3)[C@@]1([H])NC(=O)N2

InChI

InChIKey=RNFXYRWAKWDMNH-DVTIELMISA-K

InChI=1S/C36H54N8O11S.Lu/c1-40(30(46)5-3-2-4-28-35-27(23-56-28)38-36(55)39-35)18-29(45)37-25-8-6-24(7-9-25)16-26-17-43(21-33(51)52)13-12-41(19-31(47)48)10-11-42(20-32(49)50)14-15-44(26)22-34(53)54;/h6-9,26-28,35H,2-5,10-23H2,1H3,(H,37,45)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H2,38,39,55);/q;+3/p-3/t26-,27-,28-,35-;/m0./s1/i;1+2

HIDE SMILES / InChI

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

Molecular Formula	Lu
Molecular Weight	176.9438
Charge	3
Count

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

Molecular Formula	C36H50N8O11S
Molecular Weight	802.894
Charge	-4
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 18:55:24 GMT 2023` Edited by `admin` on `Sat Dec 16 18:55:24 GMT 2023`
Record UNII	77K44WEQ28
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOTA-BIOTIN-SARCOSINE LUTETIUM LU-177

Common Name

English

1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID, 2-((4-((((5-(HEXAHYDRO-2-OXO-1H-THIENO(3,4-D)IMIDAZOL-4-YL)-1-OXOPENTYL)METHYLAMINO)ACETYL)AMINO)PHENYL)METHYL)-, (3AS-(3A.ALPHA.,4.BETA.(R*),6A.ALPHA.))-, LUTETIUM LU-177

Systematic Name

English

DOTA-BIOTIN-SARCOSINE (DOTA-BIOTIN) LUTETIUM LU-177

Common Name

English

Code System Code Type Description

PUBCHEM

155804720

Created by admin on Sat Dec 16 18:55:24 GMT 2023 , Edited by admin on Sat Dec 16 18:55:24 GMT 2023

PRIMARY

PUBCHEM

FDA UNII

77K44WEQ28

Created by admin on Sat Dec 16 18:55:24 GMT 2023 , Edited by admin on Sat Dec 16 18:55:24 GMT 2023

PRIMARY

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