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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 of (P-SCN-BN)-DOTA

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

PubMed

TitleDatePubMed
Targeted actinium-225 in vivo generators for therapy of ovarian cancer.
2003 Aug 15
90Y Labeling of monoclonal antibody MOv18 and preclinical validation for radioimmunotherapy of human ovarian carcinomas.
2005 Dec
In vitro and in vivo comparison of DTPA- and DOTA-conjugated antiferritin monoclonal antibody for imaging and therapy of pancreatic cancer.
2007 Apr
PET imaging of soluble yttrium-86-labeled carbon nanotubes in mice.
2007 Sep 19
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:04:21 GMT 2023
Edited
by admin
on Sat Dec 16 08:04:21 GMT 2023
Record UNII
13KT123BYW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(P-SCN-BN)-DOTA
Common Name English
1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID, 2-((4-ISOTHIOCYANATOPHENYL)METHYL)-
Systematic Name English
P-SCN-BZ-DOTA
Common Name English
Code System Code Type Description
CAS
127985-74-4
Created by admin on Sat Dec 16 08:04:21 GMT 2023 , Edited by admin on Sat Dec 16 08:04:21 GMT 2023
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EPA CompTox
DTXSID10435844
Created by admin on Sat Dec 16 08:04:21 GMT 2023 , Edited by admin on Sat Dec 16 08:04:21 GMT 2023
PRIMARY
FDA UNII
13KT123BYW
Created by admin on Sat Dec 16 08:04:21 GMT 2023 , Edited by admin on Sat Dec 16 08:04:21 GMT 2023
PRIMARY
PUBCHEM
10123265
Created by admin on Sat Dec 16 08:04:21 GMT 2023 , Edited by admin on Sat Dec 16 08:04:21 GMT 2023
PRIMARY