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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38N2O2.C4H4O4
Molecular Weight 550.6857
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TEGILERIDINE FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CCO[C@H]1CC[C@H](NCC[C@]2(CCOC3(CCCC3)C2)C4=NC=CC=C4)C5=C1C=CC=C5

InChI

InChIKey=VFGOEMJUCDUQKE-UCTPHWQQSA-N
InChI=1S/C28H38N2O2.C4H4O4/c1-2-31-25-13-12-24(22-9-3-4-10-23(22)25)29-19-16-27(26-11-5-8-18-30-26)17-20-32-28(21-27)14-6-7-15-28;5-3(6)1-2-4(7)8/h3-5,8-11,18,24-25,29H,2,6-7,12-17,19-21H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t24-,25-,27+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TEGILERIDINE FUMARATE
Common Name English
(1S,4S)-4-ETHOXY-N-(2-((R)-9-(PYRIDIN-2-YL)-6-OXASPIRO(4.5)DECAN-9-YL)ETHYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE FUMARATE
Systematic Name English
6-OXASPIRO(4.5)DECANE-9-ETHANAMINE, N-((1S,4S)-4-ETHOXY-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)-9-(2-PYRIDINYL)-, (9R)-, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
135357058
Created by admin on Sat Dec 16 13:28:36 GMT 2023 , Edited by admin on Sat Dec 16 13:28:36 GMT 2023
PRIMARY
CAS
2245827-85-2
Created by admin on Sat Dec 16 13:28:36 GMT 2023 , Edited by admin on Sat Dec 16 13:28:36 GMT 2023
PRIMARY
FDA UNII
DDVNKK01XA
Created by admin on Sat Dec 16 13:28:36 GMT 2023 , Edited by admin on Sat Dec 16 13:28:36 GMT 2023
PRIMARY