2-Demethyl Colchicine 2-O-Sulfate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H23NO9S
Molecular Weight	465.474
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Demethyl Colchicine 2-O-Sulfate

Structure Search

SMILES

COC1=CC2=C(C(OC)=C1OS(O)(=O)=O)C3=CC=C(OC)C(=O)C=C3[C@H](CC2)NC(C)=O

InChI

InChIKey=WOOCBMNRNKYWSA-HNNXBMFYSA-N

InChI=1S/C21H23NO9S/c1-11(23)22-15-7-5-12-9-18(29-3)20(31-32(25,26)27)21(30-4)19(12)13-6-8-17(28-2)16(24)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,25,26,27)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H23NO9S
Molecular Weight	465.474
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 `Wed Apr 02 17:23:30 GMT 2025` Edited by `admin` on `Wed Apr 02 17:23:30 GMT 2025`
Record UNII	XR695WN9CC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-7-acetamido-1,3,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-2-yl hydrogen sulfate

Preferred Name

English

2-Demethyl Colchicine 2-O-Sulfate

Common Name

English

[(10S)-10-acetamido-3,5,14-trimethoxy-13-oxotricyclo[9.5.0.0{2,7}]hexadeca-1(16),2,4,6,11,14-hexaen-4-yl]oxidanesulfonic acid

Systematic Name

English

Acetamide, N-[(7S)-5,6,7,9-tetrahydro-1,3,10-trimethoxy-9-oxo-2-(sulfooxy)benzo[a]heptalen-7-yl]-

Systematic Name

English

N-[(7S)-5,6,7,9-Tetrahydro-1,3,10-trimethoxy-9-oxo-2-(sulfooxy)benzo[a]heptalen-7-yl]acetamide

Systematic Name

English

Code System Code Type Description

PUBCHEM

71315385

Created by admin on Wed Apr 02 17:23:30 GMT 2025 , Edited by admin on Wed Apr 02 17:23:30 GMT 2025

PRIMARY

CAS

1391052-56-4

Created by admin on Wed Apr 02 17:23:30 GMT 2025 , Edited by admin on Wed Apr 02 17:23:30 GMT 2025

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FDA UNII

XR695WN9CC

Created by admin on Wed Apr 02 17:23:30 GMT 2025 , Edited by admin on Wed Apr 02 17:23:30 GMT 2025

PRIMARY