4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid
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Basic information
- CAS
107265-48-5- Standard SMILES
O=C(O)c1ccc(CN2CCCNCCNCCCNCC2)cc1- InChIKey
GMOGICAFJFPMNS-UHFFFAOYSA-N- Molecular formula
- C18H30N4O2
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.2368762
Overview
structure given in first source; a chelating agent that can be conjugated to monoclonal antibodies
Names & identifiers
- Preferred name
- 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid
- IUPAC
- 4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid
- English name
- 4-((1,4,8,11-tetraazacyclotetradec-1-yl)methyl)benzoic acid
- Molecular formula
- C18H30N4O2
- Molecular weight
- 334.46
Names & synonyms
107265-48-5CTPA4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acidDTXSID80147987RefChem:96831DTXCID70704784-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acidBenzoic acid,4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)-4-((1,4,8,11-Tetraazacyclotetradecan-1-yl)methyl)benzoic acid4-[(1,4,8,11-Tetraazacyclotetradecan-1-yl)methyl]benzoic acidGMOGICAFJFPMNS-UHFFFAOYSA-NPlerixafor Impurity U
Show more names
RMA-691PlerixaforImpurity23TetraHCl4-((1,4,8,11-tetraazacyclotetradec-1-yl)methyl)benzoic acid (CPTA)
CPTA, 4 HClSCHEMBL898695MFCD305321514-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)-benzoic acid4-[(1,4,8,11-tetraazacyclotetradec-1-yl)methyl]-benzoic acidBenzoic acid, 4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)-
Database identifiers
- CAS
107265-48-5
Properties
Computed structural propertiesFilling in
- XLogP
- -1.8
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 346
Related reactions
2 records
Compound notes
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