Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00433
|
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| Drug Name |
3,4-Methylenedioxymethamphetamine
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| Synonyms |
(+-)-(3,4-Methylenedioxy)methamphetamine; (+-)-N-Methyl-3,4-(methylenedioxy)amphetamine; (RS)-3,4-(methylenedioxy)methamphetamine; 1,3-Benzodioxole-5-ethanamine, N,alpha-dimethyl-; 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine; 3,4-methylenedioxymethamphetamine; 42542-10-9; DEA No 7405; DL-(3,4-Methylenedioxy)methamphetamine; Ecstasy; HSDB 6929; MDMA; MDMA (unspecified); Methylenedioxymethamphetamine; Midomafetamine; N,alpha-Dimethyl-1,3-benzodioxole-5-ethanamine; N-METHYL-3,4-METHYLENEDIOXYAMPHETAMINE
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| Drug Type |
Small molecular drug
|
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C11H15NO2
|
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| Canonical SMILES |
CC(CC1=CC2=C(C=C1)OCO2)NC
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| InChI |
InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
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| InChIKey |
SHXWCVYOXRDMCX-UHFFFAOYSA-N
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| CAS Number |
CAS 42542-10-9
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| Pharmaceutical Properties | Molecular Weight | 193.24 | Topological Polar Surface Area | 30.5 | ||
| Heavy Atom Count | 14 | Rotatable Bond Count | 3 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 3 | |||
| XLogP |
2.2
|
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| PubChem CID | ||||||
| PubChem SID |
103225016
,103923364
,104298224
,10522572
,11336137
,11361376
,11462348
,124893453
,125350416
,129238625
,132566090
,134346093
,135001385
,137105423
,139665247
,14748568
,160964717
,162898916
,164846357
,175443907
,178101295
,179116536
,184533298
,223878256
,226428474
,241079561
,24439938
,249924006
,3249434
,46506404
,47365284
,47810836
,47959850
,49884640
,49884641
,50113079
,50876016
,53790135
,5656638
,57320955
,7979873
,8147054
,8151203
,841181
,87245064
,9780
|
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| ChEBI ID |
CHEBI:1391
|
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| TTD Drug ID | ||||||
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