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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H10O3S2
Molecular Weight 218.293
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-4-OL 7,7-DIOXIDE, (4S,6S)-

SMILES

C[C@H]1C[C@H](O)C2=C(SC=C2)S1(=O)=O

InChI

InChIKey=NFUQUGUUAUVBMO-FSPLSTOPSA-N
InChI=1S/C8H10O3S2/c1-5-4-7(9)6-2-3-12-8(6)13(5,10)11/h2-3,5,7,9H,4H2,1H3/t5-,7-/m0/s1

HIDE SMILES / InChI
Molecular Formula C8H10O3S2
Molecular Weight 218.293
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

5,6-Dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-4-ol 7,7-dioxide, (4S,6S)- is an intermediate for the synthesis of topically-active carbonic anhydrase inhibitor MK-0507.

Originator

Merck
216
Curator's Comment: # Merck Research laboratories

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Patents

Patents

EP590549
1

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:53:29 GMT 2023
Edited
by admin
on Fri Dec 15 15:53:29 GMT 2023
Record UNII
JJ8MBD49UR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-4-OL 7,7-DIOXIDE, (4S,6S)-
Systematic Name English
4H-THIENO(2,3-B)THIOPYRAN-4-OL, 5,6-DIHYDRO-6-METHYL-, 7,7-DIOXIDE, (4S-TRANS)-
Systematic Name English
(4S,6S)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-4-OL 7,7-DIOXIDE
Systematic Name English
4H-THIENO(2,3-B)THIOPYRAN-4-OL, 5,6-DIHYDRO-6-METHYL-, 7,7-DIOXIDE, (4S,6S)-
Systematic Name English
(4S,6S)-5,6-DIHYDRO-4-HYDROXY-6-METHYLTHIENO(2,3-B)THIOPYRAN 7,7-DIOXIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID3057646
Created by admin on Fri Dec 15 15:53:29 GMT 2023 , Edited by admin on Fri Dec 15 15:53:29 GMT 2023
PRIMARY
PUBCHEM
60924
Created by admin on Fri Dec 15 15:53:29 GMT 2023 , Edited by admin on Fri Dec 15 15:53:29 GMT 2023
PRIMARY
CAS
147086-81-5
Created by admin on Fri Dec 15 15:53:29 GMT 2023 , Edited by admin on Fri Dec 15 15:53:29 GMT 2023
PRIMARY
FDA UNII
JJ8MBD49UR
Created by admin on Fri Dec 15 15:53:29 GMT 2023 , Edited by admin on Fri Dec 15 15:53:29 GMT 2023
PRIMARY
NIH
NCATS
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