Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Naltrindole 5'-isothiocyanate
RN: 126876-64-0
InChIKey: PHACSLSFPGYKLR-YICISRLPSA-N

Note

  • Delta-opioid receptor antagonist & affinity label.

Molecular Formula

  • C27-H25-N3-O3-S

Molecular Weight

  • 471.5785
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Naltrindole 5'-isothiocyanate

Systematic Name

  • 4,8-Methanobenzofuro(2,3-a)pyrido(4,3-b)carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-11-isothiocyanato-, (8R-(4bS*,8alpha,8abeta,14bbeta))-

Registry Numbers

CAS Registry Number

  • 126876-64-0

System Generated Number

  • 0126876640

Structure Descriptors

InChI

1S/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-10-16(28-13-34)4-5-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2/t21-,25-,26+,27+/m1/s1

InChIKey

PHACSLSFPGYKLR-YICISRLPSA-N

Smiles

Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@H](Oc1c25)c7[nH]c8ccc(cc8c7C[C@]36O)N=C=S