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Details

Stereochemistry ACHIRAL
Molecular Formula C23H33NO2.ClH
Molecular Weight 391.975
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NE-100

SMILES

Cl.CCCN(CCC)CCC1=CC=C(OC)C(OCCC2=CC=CC=C2)=C1

InChI

InChIKey=ZHGMDXSHODHWHV-UHFFFAOYSA-N
InChI=1S/C23H33NO2.ClH/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20;/h6-12,19H,4-5,13-18H2,1-3H3;1H

HIDE SMILES / InChI

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

Molecular Formula C23H33NO2
Molecular Weight 355.5136
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 15:57:49 UTC 2023
Edited
by admin
on Sat Dec 16 15:57:49 UTC 2023
Record UNII
T6QLY532R9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NE-100
Code English
4-METHOXY-3-(2-PHENYLETHOXY)-N,N-DIPROPYLBENZENEETHANAMINE HYDROCHLORIDE (1:1)
Systematic Name English
NE 100
Code English
BENZENEETHANAMINE, 4-METHOXY-3-(2-PHENYLETHOXY)-N,N-DIPROPYL-, HYDROCHLORIDE
Systematic Name English
BENZENEETHANAMINE, 4-METHOXY-3-(2-PHENYLETHOXY)-N,N-DIPROPYL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
T6QLY532R9
Created by admin on Sat Dec 16 15:57:49 UTC 2023 , Edited by admin on Sat Dec 16 15:57:49 UTC 2023
PRIMARY
PUBCHEM
9952420
Created by admin on Sat Dec 16 15:57:49 UTC 2023 , Edited by admin on Sat Dec 16 15:57:49 UTC 2023
PRIMARY
CAS
149409-57-4
Created by admin on Sat Dec 16 15:57:49 UTC 2023 , Edited by admin on Sat Dec 16 15:57:49 UTC 2023
PRIMARY
CHEBI
140905
Created by admin on Sat Dec 16 15:57:49 UTC 2023 , Edited by admin on Sat Dec 16 15:57:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE