Gadoteridol | CAS No. 120066-54-8

Gadoteridol

Basic Information

CAS Number

120066-54-8

Molecular Formula

C17H29GdN4O7

Molecular Weight

558.7 g/mol

AD

Basic Physical Properties

Melting Point

188-193 °C

CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3]

InChI

InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3

InChIKey

DPNNNPAKRZOSMO-UHFFFAOYSA-K

LogP

log Kow = -3.68 (octanol/water logP = -1.98 (butanol/water), at pH 7

Complexity

471

Synonyms & References

English

  • Tox21_113025
  • HSDB 7549
  • CHEBI:31643
  • V08CA04
  • Gadolinium-HP-DO3A
  • ProHance
  • Gd-hydroxypropyl-D03A
  • Gadoteridol (JAN/USP/INN)
  • HMS3264D11
  • GADOTERIDOL
  • DTXSID2048662
  • GADOTERIDOL [USAN]
  • GADOTERIDOL [WHO-DD]
  • CAS-120066-54-8
  • GD-HP-DO 3A
  • (+-)-(10-(2-Hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-))gadolinium
  • GADOTERIDOL [JAN]
  • GADOTERIDOL [MART.]
  • Q5516429
  • GdHPDO3A
  • NCGC00182068-02
  • gadolinium 2,2',2''-(10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
  • (2,2',2''-(10-(2-(hydroxy-kappaO)propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl-kappa(4)N(1),N(4),N(7),N(10))triacetato-kappaO(3-))gadolinium
  • Gd-HPDO3A
  • SQ-32692
  • (+/-)-(10-(2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETATO(3-))GADOLINIUM.
  • gadolinium HP-DO3A
  • GADOTERIDOL [INN]
  • SCHEMBL1650466
  • DPNNNPAKRZOSMO-UHFFFAOYSA-K
  • MOLI001032

MDL Number

MFCD01725526

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