2-[4,10-Bis(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid | CAS No. 138168-36-2

2-[4,10-Bis(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

Basic Information

CAS Number

138168-36-2

Molecular Formula

C18H34N4O9

Molecular Weight

450.48 g/mol

AD

Basic Physical Properties

Density

1.3 g/mL at 37 °C

C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CO)C(CO)O)CC(=O)O

InChI

InChI=1S/C18H34N4O9/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31)

InChIKey

JZNZSKXIEDHOBD-UHFFFAOYSA-N

LogP

-3.82409999999999

Topological Polar Surface Area

185.54999999999998 Ų

Hydrogen Bond Donor/Acceptor

6 / 13

Complexity

548

Synonyms & References

English

  • 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-
  • Butrol-1,&#8203
  • 4,&#8203
  • 7,&#8203
  • 10-&#8203
  • Tetraazacyclododecan&#8203
  • e-&#8203
  • 1,&#8203
  • 7-&#8203
  • triacetic acid
  • Calcobutrol
  • Gadobutrol
  • SCHEMBL1875231
  • 138168-36-2
  • CHEMBL2111181
  • 770691-21-9
  • JZNZSKXIEDHOBD-UHFFFAOYSA-N
  • 2,2',2''-(10-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
  • 2-[4,10-bis(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
  • DTXSID50869881
  • 2,2',2''-[10-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetic acid
  • AT43124
  • 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid,10-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-

MDL Number

MFCD32067785

FAQ

What regulatory guidelines apply to 2-[4,10-Bis(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS: 138168-36-2)?

2-[4,10-Bis(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS: 138168-36-2) should comply with GHS classification for chemical hazards, including health, environmental, and physical hazards. It also falls under REACH regulations, requiring detailed safety data sheets (SDS) and other documentation. FDA and EPA guidelines may apply for specific applications, such as in pharmaceutical or environmental testing contexts.

Are there alternatives to 2-[4,10-Bis(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS: 138168-36-2) in synthesis?

There are several alternatives to 2-[4,10-Bis(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS: 138168-36-2) in synthesis, including similar functionalized tetrazacyclododecane derivatives, or alternative reagents like amines, carboxylic acids, and other cyclic amine structures. These alternatives can provide similar functionalities in various chemical reactions.

What is the market or research trend for 2-[4,10-Bis(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS: 138168-36-2)?

The market for 2-[4,10-Bis(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS: 138168-36-2) is part of the growing research in medicinal and pharmaceutical chemistry. Trends include the exploration of its potential in drug discovery, as well as its use in materials science for developing new polymers and coatings. Price trends show steady growth due to increasing demand in specialized applications.

How should waste containing 2-[4,10-Bis(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS: 138168-36-2) be handled?

Waste containing 2-[4,10-Bis(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS: 138168-36-2) should be collected in appropriate containers and stored under secure conditions to prevent environmental contamination. Safe disposal methods include incineration or professional waste disposal services. Ensure that all handling follows local and international environmental protection regulations to minimize ecological impact.

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