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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20N2O3S
Molecular Weight 344.4298
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEACETYL-N,O-DIDEMETHYLDILTIAZEM

SMILES

CNCCN1c2ccccc2S[C@@]([H])(c3ccc(cc3)O)[C@]([H])(C1=O)O

InChI

InChIKey=ZTRZZXJIQHVVGS-SJORKVTESA-N
InChI=1S/C18H20N2O3S/c1-19-10-11-20-14-4-2-3-5-15(14)24-17(16(22)18(20)23)12-6-8-13(21)9-7-12/h2-9,16-17,19,21-22H,10-11H2,1H3/t16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H20N2O3S
Molecular Weight 344.4298
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:30:22 UTC 2021
Edited
by admin
on Fri Jun 25 22:30:22 UTC 2021
Record UNII
2JQ1D3G54H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEACETYL-N,O-DIDEMETHYLDILTIAZEM
Common Name English
O-DESMETHYLDEACETYLNORDILTIAZEM
Common Name English
DEACETYL-N,O-DIDESMETHYLDILTIAZEM
Common Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 2,3-DIHYDRO-3-HYDROXY-2-(4-HYDROXYPHENYL)-5-(2-(METHYLAMINO)ETHYL)-, (2S-CIS)-
Systematic Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 2,3-DIHYDRO-3-HYDROXY-2-(4-HYDROXYPHENYL)-5-(2-(METHYLAMINO)ETHYL)-, (2S,3S)-
Systematic Name English
N,O-DIDEMETHYLDEACETYLDILTIAZEM
Common Name English
Code System Code Type Description
FDA UNII
2JQ1D3G54H
Created by admin on Fri Jun 25 22:30:22 UTC 2021 , Edited by admin on Fri Jun 25 22:30:22 UTC 2021
PRIMARY
CAS
86408-42-6
Created by admin on Fri Jun 25 22:30:22 UTC 2021 , Edited by admin on Fri Jun 25 22:30:22 UTC 2021
PRIMARY
PUBCHEM
10472681
Created by admin on Fri Jun 25 22:30:22 UTC 2021 , Edited by admin on Fri Jun 25 22:30:22 UTC 2021
PRIMARY
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