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

Details

Stereochemistry RACEMIC
Molecular Formula C20H23NO2
Molecular Weight 309.4021
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIHEPTOLANE

SMILES

CN(C)CC1COC2(O1)C3=CC=CC=C3CCC4=CC=CC=C24

InChI

InChIKey=QZYFQEXKWXCXJQ-UHFFFAOYSA-N
InChI=1S/C20H23NO2/c1-21(2)13-17-14-22-20(23-17)18-9-5-3-7-15(18)11-12-16-8-4-6-10-19(16)20/h3-10,17H,11-14H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H23NO2
Molecular Weight 309.4021
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:31:15 GMT 2023
Edited
by admin
on Fri Dec 15 16:31:15 GMT 2023
Record UNII
NLD2X0VD2U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIHEPTOLANE
INN  
INN  
Official Name English
ciheptolane [INN]
Common Name English
10,11-DIHYDRO-N,N-DIMETHYLSPIRO(5H-DIBENZO(A,D)CYCLOHEPTENE-5,2'-(1,3)DIOXOLANE)-4'-METHYLAMINE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C270
Created by admin on Fri Dec 15 16:31:15 GMT 2023 , Edited by admin on Fri Dec 15 16:31:15 GMT 2023
NCI_THESAURUS C241
Created by admin on Fri Dec 15 16:31:15 GMT 2023 , Edited by admin on Fri Dec 15 16:31:15 GMT 2023
Code System Code Type Description
SMS_ID
100000081310
Created by admin on Fri Dec 15 16:31:15 GMT 2023 , Edited by admin on Fri Dec 15 16:31:15 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104552
Created by admin on Fri Dec 15 16:31:15 GMT 2023 , Edited by admin on Fri Dec 15 16:31:15 GMT 2023
PRIMARY
INN
3601
Created by admin on Fri Dec 15 16:31:15 GMT 2023 , Edited by admin on Fri Dec 15 16:31:15 GMT 2023
PRIMARY
CAS
34753-46-3
Created by admin on Fri Dec 15 16:31:15 GMT 2023 , Edited by admin on Fri Dec 15 16:31:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID40865731
Created by admin on Fri Dec 15 16:31:15 GMT 2023 , Edited by admin on Fri Dec 15 16:31:15 GMT 2023
PRIMARY
FDA UNII
NLD2X0VD2U
Created by admin on Fri Dec 15 16:31:15 GMT 2023 , Edited by admin on Fri Dec 15 16:31:15 GMT 2023
PRIMARY
NCI_THESAURUS
C77318
Created by admin on Fri Dec 15 16:31:15 GMT 2023 , Edited by admin on Fri Dec 15 16:31:15 GMT 2023
PRIMARY
PUBCHEM
115697
Created by admin on Fri Dec 15 16:31:15 GMT 2023 , Edited by admin on Fri Dec 15 16:31:15 GMT 2023
PRIMARY
EVMPD
SUB06261MIG
Created by admin on Fri Dec 15 16:31:15 GMT 2023 , Edited by admin on Fri Dec 15 16:31:15 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY