S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid

• Catalog Number: ACM127985744
• Product Name: S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid
• CAS: 127985-74-4
• Category: Main Products
• Synonyms: p-SCN-Bn-DOTA
• Molecular Weight: 687.8
• Molecular Formula: C24H33N5O8S·2.5HCl·2.5H₂O
• Appearance: Solid

Custom Q&A

What is the molecular formula of S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?

The molecular formula is C24H33N5O8S.

What are the synonyms for S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?

The synonyms are (p-SCN-Bn)-dota, 127985-74-4, p-SCN-Bn-DOTA, p-SCN-Bz-dota, and UNII-13KT123BYW.

What is the molecular weight of S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?

The molecular weight is 551.6 g/mol.

When was S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid created?

It was created on October 25, 2006.

When was S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid last modified?

It was last modified on October 21, 2023.

What is the IUPAC name of S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?

The IUPAC name is 2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid.

What is the InChI code for S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?

The InChI code is 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).

What is the InChIKey of S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?

The InChIKey is UDOPJKHABYSVIX-UHFFFAOYSA-N.

What is the canonical SMILES representation of S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?

The canonical SMILES representation is C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O).

What is the CAS number of S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?

The CAS number is 127985-74-4.