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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27Cl2N3O3.H2O
Molecular Weight 494.411
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Glovadalen monohydrate

SMILES

O.C[C@@H]1N([C@@H](CO)CC2=C(C=CC=C12)C(C)(C)O)C(=O)CC3=C(Cl)C=CC4=C3C(Cl)=NN4C

InChI

InChIKey=RMHMJGICIFIUJP-LMRHVHIWSA-N
InChI=1S/C24H27Cl2N3O3.H2O/c1-13-15-6-5-7-18(24(2,3)32)16(15)10-14(12-30)29(13)21(31)11-17-19(25)8-9-20-22(17)23(26)27-28(20)4;/h5-9,13-14,30,32H,10-12H2,1-4H3;1H2/t13-,14+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C24H27Cl2N3O3
Molecular Weight 476.395
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:29:30 GMT 2025
Edited
by admin
on Wed Apr 02 18:29:30 GMT 2025
Record UNII
HQH5ZLQ9V7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3,5-dichloro-1-methyl-indazol-4-yl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(1-hydroxy-1-methyl-ethyl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone monohydrate
Preferred Name English
Glovadalen monohydrate
Common Name English
Ethanone, 2-(3,5-dichloro-1-methyl-1H-indazol-4-yl)-1-[(1S,3R)-3,4-dihydro-3-(hydroxymethyl)-5-(1-hydroxy-1-methylethyl)-1-methyl-2(1H)-isoquinolinyl]-, hydrate (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
HQH5ZLQ9V7
Created by admin on Wed Apr 02 18:29:30 GMT 2025 , Edited by admin on Wed Apr 02 18:29:30 GMT 2025
PRIMARY
SMS_ID
300000025737
Created by admin on Wed Apr 02 18:29:30 GMT 2025 , Edited by admin on Wed Apr 02 18:29:30 GMT 2025
PRIMARY
PUBCHEM
171390077
Created by admin on Wed Apr 02 18:29:30 GMT 2025 , Edited by admin on Wed Apr 02 18:29:30 GMT 2025
PRIMARY
CAS
2785331-44-2
Created by admin on Wed Apr 02 18:29:30 GMT 2025 , Edited by admin on Wed Apr 02 18:29:30 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY