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Details

Stereochemistry RACEMIC
Molecular Formula C11H17NO.ClH
Molecular Weight 215.72
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUPHEDRONE PSEUDOEPHEDRINE HYDROCHLORIDE, (±)-

SMILES

Cl.CC[C@@H](NC)[C@H](O)C1=CC=CC=C1

InChI

InChIKey=DBIYVUUUZVZMQD-NDXYWBNTSA-N
InChI=1S/C11H17NO.ClH/c1-3-10(12-2)11(13)9-7-5-4-6-8-9;/h4-8,10-13H,3H2,1-2H3;1H/t10-,11-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C11H17NO
Molecular Weight 179.2588
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:26:41 GMT 2023
Edited
by admin
on Sat Dec 16 10:26:41 GMT 2023
Record UNII
889Y2B6Y15
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUPHEDRONE PSEUDOEPHEDRINE HYDROCHLORIDE, (±)-
Common Name English
BENZENEMETHANOL, .ALPHA.-((1R)-1-(METHYLAMINO)PROPYL)-, HYDROCHLORIDE (1:1), (.ALPHA.R)-REL-
Systematic Name English
3-METHYL PSEUDOEPHEDRINE HYDROCHLORIDE, (±)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID301043042
Created by admin on Sat Dec 16 10:26:41 GMT 2023 , Edited by admin on Sat Dec 16 10:26:41 GMT 2023
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FDA UNII
889Y2B6Y15
Created by admin on Sat Dec 16 10:26:41 GMT 2023 , Edited by admin on Sat Dec 16 10:26:41 GMT 2023
PRIMARY
CAS
1246817-96-8
Created by admin on Sat Dec 16 10:26:41 GMT 2023 , Edited by admin on Sat Dec 16 10:26:41 GMT 2023
PRIMARY
PUBCHEM
121491898
Created by admin on Sat Dec 16 10:26:41 GMT 2023 , Edited by admin on Sat Dec 16 10:26:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE