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

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H48N2O10
Molecular Weight 620.7309
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTOBENDINE

SMILES

CC[C@@H](COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)N(C)CCN(C)[C@@H](CC)COC(=O)C2=CC(OC)=C(OC)C(OC)=C2

InChI

InChIKey=ZKSIPEYIAHUPNM-ZEQRLZLVSA-N
InChI=1S/C32H48N2O10/c1-11-23(19-43-31(35)21-15-25(37-5)29(41-9)26(16-21)38-6)33(3)13-14-34(4)24(12-2)20-44-32(36)22-17-27(39-7)30(42-10)28(18-22)40-8/h15-18,23-24H,11-14,19-20H2,1-10H3/t23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H48N2O10
Molecular Weight 620.7309
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

PubMed

PubMed

TitleDatePubMed
Determination of some cardiac drugs using an ionselective chloride electrode and a silver electrode.
1985 Jun
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:30:12 GMT 2023
Edited
by admin
on Sat Dec 16 16:30:12 GMT 2023
Record UNII
RP2J52327K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTOBENDINE
INN   MI  
INN  
Official Name English
(+)-(S,S)-ETHYLENEBIS((METHYLIMINO)(2-ETHYLETHYLENE))BIS(3,4,5-TRIMETHOXYBENZOATE)
Systematic Name English
butobendine [INN]
Common Name English
BUTOBENDINE [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47793
Created by admin on Sat Dec 16 16:30:12 GMT 2023 , Edited by admin on Sat Dec 16 16:30:12 GMT 2023
Code System Code Type Description
ChEMBL
CHEMBL3142543
Created by admin on Sat Dec 16 16:30:12 GMT 2023 , Edited by admin on Sat Dec 16 16:30:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID10204330
Created by admin on Sat Dec 16 16:30:12 GMT 2023 , Edited by admin on Sat Dec 16 16:30:12 GMT 2023
PRIMARY
FDA UNII
RP2J52327K
Created by admin on Sat Dec 16 16:30:12 GMT 2023 , Edited by admin on Sat Dec 16 16:30:12 GMT 2023
PRIMARY
EVMPD
SUB06025MIG
Created by admin on Sat Dec 16 16:30:12 GMT 2023 , Edited by admin on Sat Dec 16 16:30:12 GMT 2023
PRIMARY
NCI_THESAURUS
C81433
Created by admin on Sat Dec 16 16:30:12 GMT 2023 , Edited by admin on Sat Dec 16 16:30:12 GMT 2023
PRIMARY
SMS_ID
100000088632
Created by admin on Sat Dec 16 16:30:12 GMT 2023 , Edited by admin on Sat Dec 16 16:30:12 GMT 2023
PRIMARY
DRUG CENTRAL
3695
Created by admin on Sat Dec 16 16:30:12 GMT 2023 , Edited by admin on Sat Dec 16 16:30:12 GMT 2023
PRIMARY
MERCK INDEX
m605
Created by admin on Sat Dec 16 16:30:12 GMT 2023 , Edited by admin on Sat Dec 16 16:30:12 GMT 2023
PRIMARY Merck Index
PUBCHEM
10031812
Created by admin on Sat Dec 16 16:30:12 GMT 2023 , Edited by admin on Sat Dec 16 16:30:12 GMT 2023
PRIMARY
CAS
55769-65-8
Created by admin on Sat Dec 16 16:30:12 GMT 2023 , Edited by admin on Sat Dec 16 16:30:12 GMT 2023
PRIMARY
INN
4974
Created by admin on Sat Dec 16 16:30:12 GMT 2023 , Edited by admin on Sat Dec 16 16:30:12 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY