(P-SCN-BN)-DOTA

Details

Stereochemistry	RACEMIC
Molecular Formula	C24H33N5O8S
Molecular Weight	551.613
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)C(CC2=CC=C(C=C2)N=C=S)CN(CC(O)=O)CC1

InChI

InChIKey=UDOPJKHABYSVIX-UHFFFAOYSA-N

InChI=1S/C24H33N5O8S/c30-21(31)13-26-5-6-27(14-22(32)33)9-10-29(16-24(36)37)20(12-28(8-7-26)15-23(34)35)11-18-1-3-19(4-2-18)25-17-38/h1-4,20H,5-16H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)

HIDE SMILES / InChI

Molecular Formula	C24H33N5O8S
Molecular Weight	551.613
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

PubMed

Title	Date	PubMed
PET imaging of soluble yttrium-86-labeled carbon nanotubes in mice.	2007-09-19	17878942
In vitro and in vivo comparison of DTPA- and DOTA-conjugated antiferritin monoclonal antibody for imaging and therapy of pancreatic cancer.	2007-04	17383579
90Y Labeling of monoclonal antibody MOv18 and preclinical validation for radioimmunotherapy of human ovarian carcinomas.	2005-12	15926078
Targeted actinium-225 in vivo generators for therapy of ovarian cancer.	2003-08-15	12941838

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:51:45 GMT 2025` Edited by `admin` on `Mon Mar 31 21:51:45 GMT 2025`
Record UNII	13KT123BYW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(P-SCN-BN)-DOTA

Common Name

English

P-SCN-BZ-DOTA

Preferred Name

English

1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID, 2-((4-ISOTHIOCYANATOPHENYL)METHYL)-

Systematic Name

English

Code System Code Type Description

CAS

127985-74-4

Created by admin on Mon Mar 31 21:51:45 GMT 2025 , Edited by admin on Mon Mar 31 21:51:45 GMT 2025

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EPA CompTox

DTXSID10435844

Created by admin on Mon Mar 31 21:51:45 GMT 2025 , Edited by admin on Mon Mar 31 21:51:45 GMT 2025

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FDA UNII

13KT123BYW

Created by admin on Mon Mar 31 21:51:45 GMT 2025 , Edited by admin on Mon Mar 31 21:51:45 GMT 2025

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PUBCHEM

10123265

Created by admin on Mon Mar 31 21:51:45 GMT 2025 , Edited by admin on Mon Mar 31 21:51:45 GMT 2025

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