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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23NO5.ClH.H2O
Molecular Weight 399.866
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRETOQUINOL HYDROCHLORIDE MONOHYDRATE

SMILES

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

InChI

InChIKey=NYRVBYLXLHGXDP-UTLKBRERSA-N
InChI=1S/C19H23NO5.ClH.H2O/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;1H2/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 H2O
Molecular Weight 18.0153
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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:25:43 UTC 2023
Edited
by admin
on Fri Dec 15 18:25:43 UTC 2023
Record UNII
SS28YGI1ZQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRETOQUINOL HYDROCHLORIDE MONOHYDRATE
Common Name English
TRETOQUINOL HYDROCHLORIDE HYDRATE
JAN  
Common Name English
NSC-288748
Code English
TRIMETOQUINOL HYDROCHLORIDE HYDRATE [JAN]
Common Name English
6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)-, HYDROCHLORIDE, MONOHYDRATE, (S)-
Systematic Name English
VEMS
Brand Name English
TRIMETOQUINOL HYDROCHLORIDE
Common Name English
TRETOQUINOL HYDROCHLORIDE HYDRATE [JAN]
Common Name English
Tretoquinol hydrochloride [WHO-DD]
Common Name English
(-)-1,2,3,4-TETRAHYDRO-1-(3,4,5-TRIMETHOXYBENZYL)ISOQUINOLINE-6,7-DIOL HYDROCHLORIDE MONOHYDRATE
Systematic Name English
INOLIN
Brand Name English
TRETOQUINOL HYDROCHLORIDE
MART.   WHO-DD  
Common Name English
TRETOQUINOL HYDROCHLORIDE [MART.]
Common Name English
RO-07-5965
Code English
TRIMETOQUINOL HYDROCHLORIDE HYDRATE
JAN  
Common Name English
Trimetoquinol hydrochloride hydrate [WHO-DD]
Common Name English
AQ-110
Code English
TRIMETHOQUINOL HYDROCHLORIDE MONOHYDRATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10222852
Created by admin on Fri Dec 15 18:25:43 UTC 2023 , Edited by admin on Fri Dec 15 18:25:43 UTC 2023
PRIMARY
NSC
288748
Created by admin on Fri Dec 15 18:25:43 UTC 2023 , Edited by admin on Fri Dec 15 18:25:43 UTC 2023
PRIMARY
FDA UNII
SS28YGI1ZQ
Created by admin on Fri Dec 15 18:25:43 UTC 2023 , Edited by admin on Fri Dec 15 18:25:43 UTC 2023
PRIMARY
SMS_ID
100000077521
Created by admin on Fri Dec 15 18:25:43 UTC 2023 , Edited by admin on Fri Dec 15 18:25:43 UTC 2023
PRIMARY
CAS
72534-66-8
Created by admin on Fri Dec 15 18:25:43 UTC 2023 , Edited by admin on Fri Dec 15 18:25:43 UTC 2023
PRIMARY
EVMPD
SUB15598MIG
Created by admin on Fri Dec 15 18:25:43 UTC 2023 , Edited by admin on Fri Dec 15 18:25:43 UTC 2023
PRIMARY
ChEMBL
CHEMBL299175
Created by admin on Fri Dec 15 18:25:43 UTC 2023 , Edited by admin on Fri Dec 15 18:25:43 UTC 2023
PRIMARY
PUBCHEM
23724963
Created by admin on Fri Dec 15 18:25:43 UTC 2023 , Edited by admin on Fri Dec 15 18:25:43 UTC 2023
PRIMARY
Related Record Type Details
Structure of TRETOQUINOL
PARENT -> SALT/SOLVATE
Structure of TRETOQUINOL HYDROCHLORIDE ANHYDROUS
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of TRETOQUINOL
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