4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid

HCID 130577CAS 107265-48-5

Basic information

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
PubChem CID
130577
DTXSID
DTXSID80147987
Nikkaji
J624.687G、J737.111J

Properties

Computed structural properties

XLogP
-1.8
Topological polar surface area
76.6 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
24

Chemistry & industry

Suppliers8 total

济南百隆化学有限公司[email protected] · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
西安凯新生物科技有限公司029-68881181 13619217766
南京博济达医药科技有限公司18762407961 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]

Related reactions

2 records

Linked notes

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