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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38N2O2
Molecular Weight 434.6135
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEGILERIDINE

SMILES

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

InChI

InChIKey=YUMLNLMFBWBKSK-OHSXHVKISA-N
InChI=1S/C28H38N2O2/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/h3-5,8-11,18,24-25,29H,2,6-7,12-17,19-21H2,1H3/t24-,25-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H38N2O2
Molecular Weight 434.6135
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 19:07:40 UTC 2023
Edited
by admin
on Thu Jul 06 19:07:40 UTC 2023
Record UNII
YFJS8L4TGU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEGILERIDINE
INN  
Official Name English
(9R)-N-((1S,4S)-4-ETHOXY-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)-9-(2-PYRIDINYL)-6-OXASPIRO(4.5)DECANE-9-ETHANAMINE
Systematic Name English
(1S,4S)-4-ETHOXY-N-(2-((R)-9-(PYRIDIN-2-YL)-6-OXASPIRO(4.5)DECANE-9-YL)ETHYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE
Systematic 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
Systematic Name English
tegileridine [INN]
Common Name English
Code System Code Type Description
SMS_ID
300000046989
Created by admin on Thu Jul 06 19:07:41 UTC 2023 , Edited by admin on Thu Jul 06 19:07:41 UTC 2023
PRIMARY
CAS
2095345-66-5
Created by admin on Thu Jul 06 19:07:41 UTC 2023 , Edited by admin on Thu Jul 06 19:07:41 UTC 2023
PRIMARY
FDA UNII
YFJS8L4TGU
Created by admin on Thu Jul 06 19:07:41 UTC 2023 , Edited by admin on Thu Jul 06 19:07:41 UTC 2023
PRIMARY
NCI_THESAURUS
C188662
Created by admin on Thu Jul 06 19:07:41 UTC 2023 , Edited by admin on Thu Jul 06 19:07:41 UTC 2023
PRIMARY
PUBCHEM
129049969
Created by admin on Thu Jul 06 19:07:41 UTC 2023 , Edited by admin on Thu Jul 06 19:07:41 UTC 2023
PRIMARY
INN
12090
Created by admin on Thu Jul 06 19:07:41 UTC 2023 , Edited by admin on Thu Jul 06 19:07:41 UTC 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
SALT/SOLVATE -> PARENT
METABOLIC ENZYME -> INHIBITOR
METABOLIC ENZYME -> SUBSTRATE
TARGET -> AGONIST
AGONIST
Ki
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ACTIVE MOIETY