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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23NO5.ClH
Molecular Weight 381.851
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRETOQUINOL HYDROCHLORIDE ANHYDROUS

SMILES

Cl.COC1=CC(C[C@@H]2NCCC3=C2C=C(O)C(O)=C3)=CC(OC)=C1OC

InChI

InChIKey=UHSXRTHJCJGEKG-UQKRIMTDSA-N
InChI=1S/C19H23NO5.ClH/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14;/h7-10,14,20-22H,4-6H2,1-3H3;1H/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H23NO5
Molecular Weight 345.3896
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:45:08 UTC 2023
Edited
by admin
on Sat Dec 16 05:45:08 UTC 2023
Record UNII
298SP836N4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRETOQUINOL HYDROCHLORIDE ANHYDROUS
Common Name English
ANHYDROUS TRETOQUINOL HYDROCHLORIDE
MART.  
Common Name English
TRIMETHOQUINOL HYDROCHLORIDE
Common Name English
TRETOQUINOL L-FORM HYDROCHLORIDE [MI]
Common Name English
ANHYDROUS TRETOQUINOL HYDROCHLORIDE [MART.]
Common Name English
(-)-1,2,3,4-TETRAHYDRO-1-(3,4,5-TRIMETHOXYBENZYL)ISOQUINOLINE-6,7-DIOL HYDROCHLORIDE
Systematic Name English
6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)-, HYDROCHLORIDE (1:1), (1S)-
Common Name English
TRETOQUINOL L-FORM HYDROCHLORIDE
MI  
Common Name English
Code System Code Type Description
MERCK INDEX
m11019
Created by admin on Sat Dec 16 05:45:08 UTC 2023 , Edited by admin on Sat Dec 16 05:45:08 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID1048756
Created by admin on Sat Dec 16 05:45:08 UTC 2023 , Edited by admin on Sat Dec 16 05:45:08 UTC 2023
PRIMARY
FDA UNII
298SP836N4
Created by admin on Sat Dec 16 05:45:08 UTC 2023 , Edited by admin on Sat Dec 16 05:45:08 UTC 2023
PRIMARY
PUBCHEM
656634
Created by admin on Sat Dec 16 05:45:08 UTC 2023 , Edited by admin on Sat Dec 16 05:45:08 UTC 2023
PRIMARY
ECHA (EC/EINECS)
242-423-5
Created by admin on Sat Dec 16 05:45:08 UTC 2023 , Edited by admin on Sat Dec 16 05:45:08 UTC 2023
PRIMARY
CAS
18559-59-6
Created by admin on Sat Dec 16 05:45:08 UTC 2023 , Edited by admin on Sat Dec 16 05:45:08 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY