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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N2.C4H4O4
Molecular Weight 304.341
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYLTRYPTAMINE FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CN(C)CCC1=CNC2=CC=CC=C12

InChI

InChIKey=OHMVTPSXVQQKPA-WLHGVMLRSA-N
InChI=1S/C12H16N2.C4H4O4/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12;5-3(6)1-2-4(7)8/h3-6,9,13H,7-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C12H16N2
Molecular Weight 188.2688
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 08:46:51 UTC 2023
Edited
by admin
on Sat Dec 16 08:46:51 UTC 2023
Record UNII
EP5189LWFM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYLTRYPTAMINE FUMARATE
Systematic Name English
1H-INDOLE-3-ETHANAMINE, N,N-DIMETHYL-, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
N,N-DIMETHYLTRYPTAMINE FUMARATE
Systematic Name English
1H-INDOLE-3-ETHANAMINE, N,N-DIMETHYL-, (E)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID0048896
Created by admin on Sat Dec 16 08:46:51 UTC 2023 , Edited by admin on Sat Dec 16 08:46:51 UTC 2023
PRIMARY
FDA UNII
EP5189LWFM
Created by admin on Sat Dec 16 08:46:51 UTC 2023 , Edited by admin on Sat Dec 16 08:46:51 UTC 2023
PRIMARY
CAS
68677-26-9
Created by admin on Sat Dec 16 08:46:51 UTC 2023 , Edited by admin on Sat Dec 16 08:46:51 UTC 2023
PRIMARY
PUBCHEM
60196335
Created by admin on Sat Dec 16 08:46:51 UTC 2023 , Edited by admin on Sat Dec 16 08:46:51 UTC 2023
PRIMARY
SMS_ID
300000047760
Created by admin on Sat Dec 16 08:46:51 UTC 2023 , Edited by admin on Sat Dec 16 08:46:51 UTC 2023
PRIMARY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY