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Details

Stereochemistry MIXED
Molecular Formula C35H52N2O3
Molecular Weight 548.799
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NABITAN

SMILES

CCCCCC(C)C(C)C1=CC2=C(C(OC(=O)CCCN3CCCCC3)=C1)C4=C(CCN(CC#C)C4)C(C)(C)O2

InChI

InChIKey=MCVPMHDADNVRKF-UHFFFAOYSA-N
InChI=1S/C35H52N2O3/c1-7-9-11-15-26(3)27(4)28-23-31(39-33(38)16-14-21-36-19-12-10-13-20-36)34-29-25-37(18-8-2)22-17-30(29)35(5,6)40-32(34)24-28/h2,23-24,26-27H,7,9-22,25H2,1,3-6H3

HIDE SMILES / InChI

Molecular Formula C35H52N2O3
Molecular Weight 548.799
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:19:37 UTC 2023
Edited
by admin
on Sat Dec 16 17:19:37 UTC 2023
Record UNII
JO7BOR6B3O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NABITAN
INN  
INN  
Official Name English
nabitan [INN]
Common Name English
NABUTAN
Common Name English
Code System Code Type Description
EVMPD
SUB09105MIG
Created by admin on Sat Dec 16 17:19:37 UTC 2023 , Edited by admin on Sat Dec 16 17:19:37 UTC 2023
PRIMARY
INN
4681
Created by admin on Sat Dec 16 17:19:37 UTC 2023 , Edited by admin on Sat Dec 16 17:19:37 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110593
Created by admin on Sat Dec 16 17:19:37 UTC 2023 , Edited by admin on Sat Dec 16 17:19:37 UTC 2023
PRIMARY
NCI_THESAURUS
C170193
Created by admin on Sat Dec 16 17:19:37 UTC 2023 , Edited by admin on Sat Dec 16 17:19:37 UTC 2023
PRIMARY
CAS
66556-74-9
Created by admin on Sat Dec 16 17:19:37 UTC 2023 , Edited by admin on Sat Dec 16 17:19:37 UTC 2023
PRIMARY
WIKIPEDIA
NABITAN
Created by admin on Sat Dec 16 17:19:37 UTC 2023 , Edited by admin on Sat Dec 16 17:19:37 UTC 2023
PRIMARY
SMS_ID
100000084406
Created by admin on Sat Dec 16 17:19:37 UTC 2023 , Edited by admin on Sat Dec 16 17:19:37 UTC 2023
PRIMARY
FDA UNII
JO7BOR6B3O
Created by admin on Sat Dec 16 17:19:37 UTC 2023 , Edited by admin on Sat Dec 16 17:19:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID40867230
Created by admin on Sat Dec 16 17:19:37 UTC 2023 , Edited by admin on Sat Dec 16 17:19:37 UTC 2023
PRIMARY
PUBCHEM
39503
Created by admin on Sat Dec 16 17:19:37 UTC 2023 , Edited by admin on Sat Dec 16 17:19:37 UTC 2023
PRIMARY