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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H31NO
Molecular Weight 289.4555
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENCYCLANE

SMILES

CN(C)CCCOC2(CC1=CC=CC=C1)CCCCCC2

InChI

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

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:50:11 UTC 2023
Edited
by admin
on Sat Dec 16 15:50:11 UTC 2023
Record UNII
6I97Z6S135
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENCYCLANE
INN   MI   WHO-DD  
INN  
Official Name English
BENCYCLANE [MI]
Common Name English
bencyclane [INN]
Common Name English
3-((1-BENZYLCYCLOHEPTYL)OXY)-N,N-DIMETHYLPROPYLAMINE
Systematic Name English
Bencyclane [WHO-DD]
Common Name English
Classification Tree Code System Code
WHO-ATC C04AX11
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
NCI_THESAURUS C333
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
WHO-VATC QC04AX11
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
Code System Code Type Description
DRUG BANK
DB13488
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
CAS
2179-37-5
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
PUBCHEM
2312
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
NCI_THESAURUS
C74226
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
RXCUI
1367
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY RxNorm
EVMPD
SUB05705MIG
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
INN
2111
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
DRUG CENTRAL
301
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
MERCK INDEX
m2305
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY Merck Index
MESH
D001537
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
SMS_ID
100000086613
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
FDA UNII
6I97Z6S135
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110767
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
WIKIPEDIA
BENCYCLANE
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
ECHA (EC/EINECS)
218-547-0
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID0022646
Created by admin on Sat Dec 16 15:50:11 UTC 2023 , Edited by admin on Sat Dec 16 15:50:11 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY