Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pentixafor gallium
RN: 1342253-77-3
UNII: 1XQX0T8D0Z
InChIKey: CUSSKFGZGIXQLJ-VIJMLNJNSA-K

Molecular Formula

  • C60-H77-N14-O14.Ga

Molecular Weight

  • 1288.0753
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Pentixafor gallium

Synonyms

  • Pentixafor gallium
  • UNII-1XQX0T8D0Z

Registry Numbers

CAS Registry Number

  • 1342253-77-3

FDA UNII

  • 1XQX0T8D0Z

System Generated Number

  • 1342253773

Structure Descriptors

InChI

1S/C60H80N14O14.Ga/c1-70-49(9-5-20-63-55(84)43-16-10-40(11-17-43)33-65-51(77)35-71-22-24-72(36-52(78)79)26-28-74(38-54(82)83)29-27-73(25-23-71)37-53(80)81)58(87)68-46(8-4-21-64-60(61)62)57(86)69-47(32-41-12-15-42-6-2-3-7-44(42)30-41)56(85)66-34-50(76)67-48(59(70)88)31-39-13-18-45(75)19-14-39;/h2-3,6-7,10-19,30,46-49,75H,4-5,8-9,20-29,31-38H2,1H3,(H,63,84)(H,65,77)(H,66,85)(H,67,76)(H,68,87)(H,69,86)(H,78,79)(H,80,81)(H,82,83)(H4,61,62,64);/q;+3/p-3/t46-,47-,48+,49+;/m0./s1

InChIKey

CUSSKFGZGIXQLJ-VIJMLNJNSA-K

Smiles

[Ga+3].CN1[C@H](CCCNC(=O)c2ccc(CNC(=O)CN3CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC3)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4ccc5ccccc5c4)C(=O)NCC(=O)N[C@H](Cc6ccc(O)cc6)C1=O