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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23NO6
Molecular Weight 385.4104
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Stereo Comments M-helix

SHOW SMILES / InChI
Structure of 3-DESMETHYLCOLCHICINE

SMILES

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

InChI

InChIKey=JRRUSQGIRBEMRN-HNNXBMFYSA-N
InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-17(25)20(27-3)21(28-4)19(12)13-6-8-18(26-2)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 C21H23NO6
Molecular Weight 385.4104
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:34:56 UTC 2023
Edited
by admin
on Fri Dec 15 15:34:56 UTC 2023
Record UNII
C939KS8QEL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-DESMETHYLCOLCHICINE
Common Name English
O3-DEMETHYLCOLCHICINE
Common Name English
COLCHICINE, O3-DEMETHYL-
Common Name English
3-O-demethylcolchicine
Common Name English
3-DEMETHYL-(-)-COLCHICINE
Common Name English
3-DEMETHYLCOLCHICINE
Common Name English
COLCHICINE IMPURITY E [EP IMPURITY]
Common Name English
NSC-172946
Code English
N-[(7S)-5,6,7,9-Tetrahydro-3-hydroxy-1,2,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide
Systematic Name English
N-[(7S,12aM)-3-hydroxy-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Systematic Name English
ACETAMIDE, N-((7S)-5,6,7,9-TETRAHYDRO-3-HYDROXY-1,2,10-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)-
Systematic Name English
Code System Code Type Description
CAS
160338-75-0
Created by admin on Fri Dec 15 15:34:56 UTC 2023 , Edited by admin on Fri Dec 15 15:34:56 UTC 2023
NO STRUCTURE GIVEN
CAS
7336-33-6
Created by admin on Fri Dec 15 15:34:56 UTC 2023 , Edited by admin on Fri Dec 15 15:34:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID30223604
Created by admin on Fri Dec 15 15:34:56 UTC 2023 , Edited by admin on Fri Dec 15 15:34:56 UTC 2023
PRIMARY
PUBCHEM
299664
Created by admin on Fri Dec 15 15:34:56 UTC 2023 , Edited by admin on Fri Dec 15 15:34:56 UTC 2023
PRIMARY
FDA UNII
C939KS8QEL
Created by admin on Fri Dec 15 15:34:56 UTC 2023 , Edited by admin on Fri Dec 15 15:34:56 UTC 2023
PRIMARY
NSC
172946
Created by admin on Fri Dec 15 15:34:56 UTC 2023 , Edited by admin on Fri Dec 15 15:34:56 UTC 2023
PRIMARY
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URINE
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PARENT -> IMPURITY