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Details

Stereochemistry EPIMERIC
Molecular Formula C17H25NO8
Molecular Weight 371.3823
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-3-METHOXYMETHAMPHETAMINE-4-BETA-D-GLUCURONIDE

SMILES

CNC(C)CC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(OC)=C1

InChI

InChIKey=HCHNINKPRWVEFF-AHLSELSJSA-N
InChI=1S/C17H25NO8/c1-8(18-2)6-9-4-5-10(11(7-9)24-3)25-17-14(21)12(19)13(20)15(26-17)16(22)23/h4-5,7-8,12-15,17-21H,6H2,1-3H3,(H,22,23)/t8?,12-,13-,14+,15-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H25NO8
Molecular Weight 371.3823
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:24:59 UTC 2023
Edited
by admin
on Sat Dec 16 15:24:59 UTC 2023
Record UNII
WPP3V4F887
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXY-3-METHOXYMETHAMPHETAMINE-4-BETA-D-GLUCURONIDE
Common Name English
2-METHOXY-4-(2-(METHYLAMINO)PROPYL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-METHOXY-4-(2-(METHYLAMINO)PROPYL)PHENYL
Systematic Name English
4-HYDROXY-3-METHOXYMETHAMPHETAMINE-4-.BETA.-D-GLUCURONIDE
Common Name English
R/S-HMMA 4-GLUCURONIDE
Common Name English
Code System Code Type Description
FDA UNII
WPP3V4F887
Created by admin on Sat Dec 16 15:24:59 UTC 2023 , Edited by admin on Sat Dec 16 15:24:59 UTC 2023
PRIMARY
CAS
146367-87-5
Created by admin on Sat Dec 16 15:24:59 UTC 2023 , Edited by admin on Sat Dec 16 15:24:59 UTC 2023
PRIMARY
PUBCHEM
42642712
Created by admin on Sat Dec 16 15:24:59 UTC 2023 , Edited by admin on Sat Dec 16 15:24:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID60655313
Created by admin on Sat Dec 16 15:24:59 UTC 2023 , Edited by admin on Sat Dec 16 15:24:59 UTC 2023
PRIMARY
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