3-Demethylcolchicine

HCID 299664
NotesReactions

Completing data — usually done within a minute

Substructure searchFind similar structures

Basic information

CAS
7336-33-6
Standard SMILES
COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2
InChIKey
JRRUSQGIRBEMRN-HNNXBMFYSA-N
Molecular formula
C21H23NO6
Average molar mass
385.4 g/mol
Monoisotopic mass
385.15253745

Names & identifiers

Preferred name
3-Demethylcolchicine
IUPAC
N-[(7S)-3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Names & synonyms

3-Demethylcolchicine3-Desmethylcolchicine7336-33-6O3-Demethylcolchicine3-O-DemethylcolchicineC939KS8QELNSC-172946DTXSID30223604RefChem:501061DTXCID20146095630-470-83-Demethyl Colchicine
Show more names
(-)-3-demethylcolchicineColchicine EP Impurity EColchicine, O(3)-demethyl-N-[(7S)-3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamideDesmethylcolchicineNSC1729463-DESMETHYLCOLCHICINCHEMBL1081

Database identifiers

CAS
7336-33-6
PubChem CID
299664
DTXSID
DTXSID30223604
ChEMBL
CHEMBL1081
UNII
C939KS8QEL
EC Number
630-470-8
Nikkaji
J118.413J

Properties

Computed structural propertiesFilling in

XLogP
0.7
Topological polar surface area
94.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
28

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity]

P203, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 2 (100%)；Muta. 1B (100%)

Related reactions

2 records
New reaction record

Compound notes

Loading…