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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26NO4
Molecular Weight 344.4247
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of TEMBETARINE

SMILES

COC1=CC=C(C[C@H]2C3=C(CC[N+]2(C)C)C=C(OC)C(O)=C3)C=C1O

InChI

InChIKey=ABSDACFLIMOXJY-INIZCTEOSA-O
InChI=1S/C20H25NO4/c1-21(2)8-7-14-11-20(25-4)18(23)12-15(14)16(21)9-13-5-6-19(24-3)17(22)10-13/h5-6,10-12,16H,7-9H2,1-4H3,(H-,22,23)/p+1/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H25NO4
Molecular Weight 343.4168
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:26:01 GMT 2023
Edited
by admin
on Fri Dec 15 18:26:01 GMT 2023
Record UNII
6N63K45WMD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEMBETARINE
Common Name English
ISOQUINOLINIUM, 1,2,3,4-TETRAHYDRO-7-HYDROXY-1-((3-HYDROXY-4-METHOXYPHENYL)METHYL)-6-METHOXY-2,2-DIMETHYL-, (1S)-
Systematic Name English
(1S)-1,2,3,4-TETRAHYDRO-7-HYDROXY-1-((3-HYDROXY-4-METHOXYPHENYL)METHYL)-6-METHOXY-2,2-DIMETHYLISOQUINOLINIUM
Systematic Name English
(+)-TEMBETARINE
Common Name English
Code System Code Type Description
CHEBI
134199
Created by admin on Fri Dec 15 18:26:01 GMT 2023 , Edited by admin on Fri Dec 15 18:26:01 GMT 2023
PRIMARY
PUBCHEM
167718
Created by admin on Fri Dec 15 18:26:01 GMT 2023 , Edited by admin on Fri Dec 15 18:26:01 GMT 2023
PRIMARY
FDA UNII
6N63K45WMD
Created by admin on Fri Dec 15 18:26:01 GMT 2023 , Edited by admin on Fri Dec 15 18:26:01 GMT 2023
PRIMARY
CAS
18446-73-6
Created by admin on Fri Dec 15 18:26:01 GMT 2023 , Edited by admin on Fri Dec 15 18:26:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID70171579
Created by admin on Fri Dec 15 18:26:01 GMT 2023 , Edited by admin on Fri Dec 15 18:26:01 GMT 2023
PRIMARY