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

Details

Stereochemistry MIXED
Molecular Formula C22H45N3
Molecular Weight 351.6128
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXEDINE

SMILES

CCCCC(CC)CN1CN2CN(CC(CC)CCCC)CC2(C)C1

InChI

InChIKey=MSJBLPVXRJMJSY-UHFFFAOYSA-N
InChI=1S/C22H45N3/c1-6-10-12-20(8-3)14-23-16-22(5)17-24(19-25(22)18-23)15-21(9-4)13-11-7-2/h20-21H,6-19H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C22H45N3
Molecular Weight 351.6128
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Hexedine has been used as an antimicrobial agent and drug constituent. Information about the current use of this drug is not available.

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:19:06 GMT 2023
Edited
by admin
on Fri Dec 15 15:19:06 GMT 2023
Record UNII
LRE2528Y9E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXEDINE
INN   MI   USAN  
USAN   INN  
Official Name English
hexedine [INN]
Common Name English
HEXETIDINE IMPURITY C [EP IMPURITY]
Common Name English
W-4701
Code English
NSC-356715
Code English
HEXEDINE [MI]
Common Name English
W 4701
Code English
HEXEDINE [USAN]
Common Name English
STERISOL
Brand Name English
1H-IMIDAZO(1,5-C)IMIDAZOLE, 2,6-BIS(2-ETHYLHEXYL)HEXAHYDRO-7A-METHYL-
Common Name English
2,6-Bis(2-ethylhexyl)-hexahydro-7a-methyl-1H-imidazo[1,5-c]imidazole
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 15:19:06 GMT 2023 , Edited by admin on Fri Dec 15 15:19:06 GMT 2023
Code System Code Type Description
PUBCHEM
22291
Created by admin on Fri Dec 15 15:19:06 GMT 2023 , Edited by admin on Fri Dec 15 15:19:06 GMT 2023
PRIMARY
EVMPD
SUB08035MIG
Created by admin on Fri Dec 15 15:19:06 GMT 2023 , Edited by admin on Fri Dec 15 15:19:06 GMT 2023
PRIMARY
CAS
5980-31-4
Created by admin on Fri Dec 15 15:19:06 GMT 2023 , Edited by admin on Fri Dec 15 15:19:06 GMT 2023
PRIMARY
NSC
356715
Created by admin on Fri Dec 15 15:19:06 GMT 2023 , Edited by admin on Fri Dec 15 15:19:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID70863669
Created by admin on Fri Dec 15 15:19:06 GMT 2023 , Edited by admin on Fri Dec 15 15:19:06 GMT 2023
PRIMARY
SMS_ID
100000083978
Created by admin on Fri Dec 15 15:19:06 GMT 2023 , Edited by admin on Fri Dec 15 15:19:06 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104884
Created by admin on Fri Dec 15 15:19:06 GMT 2023 , Edited by admin on Fri Dec 15 15:19:06 GMT 2023
PRIMARY
MERCK INDEX
m760
Created by admin on Fri Dec 15 15:19:06 GMT 2023 , Edited by admin on Fri Dec 15 15:19:06 GMT 2023
PRIMARY Merck Index
FDA UNII
LRE2528Y9E
Created by admin on Fri Dec 15 15:19:06 GMT 2023 , Edited by admin on Fri Dec 15 15:19:06 GMT 2023
PRIMARY
NCI_THESAURUS
C83754
Created by admin on Fri Dec 15 15:19:06 GMT 2023 , Edited by admin on Fri Dec 15 15:19:06 GMT 2023
PRIMARY
INN
1947
Created by admin on Fri Dec 15 15:19:06 GMT 2023 , Edited by admin on Fri Dec 15 15:19:06 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
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ACTIVE MOIETY