U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H31NO.C4H4O4
Molecular Weight 405.5277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BENCYCLANE FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CN(C)CCCOC2(CC1=CC=CC=C1)CCCCCC2

InChI

InChIKey=LSTKNZAMFRGXCG-WLHGVMLRSA-N
InChI=1S/C19H31NO.C4H4O4/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18;5-3(6)1-2-4(7)8/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI
Molecular Formula C19H31NO
Molecular Weight 289.4555
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
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

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:03:07 UTC 2023
Edited
by admin
on Fri Dec 15 16:03:07 UTC 2023
Record UNII
OZN2MG334O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENCYCLANE FUMARATE
JAN   MART.   MI   WHO-DD  
Common Name English
Bencyclane fumarate [WHO-DD]
Common Name English
EGYT-201
Code English
BENCYCLANE FUMARATE [MART.]
Common Name English
3-((1-BENZYLCYCLOHEPTYL)OXY)-N,N-DIMETHYLPROPYLAMINE FUMARATE
Systematic Name English
BENCYCLANE FUMARATE [JAN]
Common Name English
BENCYCLANE FUMARATE [MI]
Common Name English
EGYT 201
Code English
Classification Tree Code System Code
NCI_THESAURUS C333
Created by admin on Fri Dec 15 16:03:07 UTC 2023 , Edited by admin on Fri Dec 15 16:03:07 UTC 2023
Code System Code Type Description
CAS
14286-84-1
Created by admin on Fri Dec 15 16:03:07 UTC 2023 , Edited by admin on Fri Dec 15 16:03:07 UTC 2023
PRIMARY
FDA UNII
OZN2MG334O
Created by admin on Fri Dec 15 16:03:07 UTC 2023 , Edited by admin on Fri Dec 15 16:03:07 UTC 2023
PRIMARY
RXCUI
258328
Created by admin on Fri Dec 15 16:03:07 UTC 2023 , Edited by admin on Fri Dec 15 16:03:07 UTC 2023
PRIMARY RxNorm
MERCK INDEX
m2305
Created by admin on Fri Dec 15 16:03:07 UTC 2023 , Edited by admin on Fri Dec 15 16:03:07 UTC 2023
PRIMARY Merck Index
EVMPD
SUB00695MIG
Created by admin on Fri Dec 15 16:03:07 UTC 2023 , Edited by admin on Fri Dec 15 16:03:07 UTC 2023
PRIMARY
DRUG BANK
DBSALT002573
Created by admin on Fri Dec 15 16:03:07 UTC 2023 , Edited by admin on Fri Dec 15 16:03:07 UTC 2023
PRIMARY
NCI_THESAURUS
C73828
Created by admin on Fri Dec 15 16:03:07 UTC 2023 , Edited by admin on Fri Dec 15 16:03:07 UTC 2023
PRIMARY
SMS_ID
100000084994
Created by admin on Fri Dec 15 16:03:07 UTC 2023 , Edited by admin on Fri Dec 15 16:03:07 UTC 2023
PRIMARY
PUBCHEM
5282403
Created by admin on Fri Dec 15 16:03:07 UTC 2023 , Edited by admin on Fri Dec 15 16:03:07 UTC 2023
PRIMARY
ECHA (EC/EINECS)
238-204-9
Created by admin on Fri Dec 15 16:03:07 UTC 2023 , Edited by admin on Fri Dec 15 16:03:07 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110767
Created by admin on Fri Dec 15 16:03:07 UTC 2023 , Edited by admin on Fri Dec 15 16:03:07 UTC 2023
PRIMARY
Related Record Type Details
Structure of BENCYCLANE
PARENT -> SALT/SOLVATE
Structure of Fumaric acid
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of BENCYCLANE
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966