U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23NO5S
Molecular Weight 401.476
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-DESMETHYLTHIOCOLCHICINE

SMILES

COC1=C(OC)C2=C(CC[C@H](NC(C)=O)C3=CC(=O)C(SC)=CC=C23)C=C1O

InChI

InChIKey=PKYOHQGXPPVIGD-HNNXBMFYSA-N
InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H23NO5S
Molecular Weight 401.476
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:43:29 UTC 2023
Edited
by admin
on Sat Dec 16 09:43:29 UTC 2023
Record UNII
18LC87Z10L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-DESMETHYLTHIOCOLCHICINE
Common Name English
3-DEMETHYLTHIOCOLCHICINE
Common Name English
NSC-361792
Code English
DMTC
Common Name English
ACETAMIDE, N-((7S)-5,6,7,9-TETRAHYDRO-3-HYDROXY-1,2-DIMETHOXY-10-(METHYLTHIO)-9-OXOBENZO(A)HEPTALEN-7-YL)-
Systematic Name English
DEGLYCOSYLATED THIOCOLCHICOSIDE
Common Name English
3-O-DEMETHYLTHIOCOLCHICINE
Common Name English
Code System Code Type Description
PUBCHEM
84076
Created by admin on Sat Dec 16 09:43:29 UTC 2023 , Edited by admin on Sat Dec 16 09:43:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID80236340
Created by admin on Sat Dec 16 09:43:29 UTC 2023 , Edited by admin on Sat Dec 16 09:43:29 UTC 2023
PRIMARY
FDA UNII
18LC87Z10L
Created by admin on Sat Dec 16 09:43:29 UTC 2023 , Edited by admin on Sat Dec 16 09:43:29 UTC 2023
PRIMARY
NSC
361792
Created by admin on Sat Dec 16 09:43:29 UTC 2023 , Edited by admin on Sat Dec 16 09:43:29 UTC 2023
PRIMARY
CAS
87424-25-7
Created by admin on Sat Dec 16 09:43:29 UTC 2023 , Edited by admin on Sat Dec 16 09:43:29 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
ACTIVE MOIETY