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Details

Stereochemistry ACHIRAL
Molecular Formula C19H24N4O2.CH4O3S
Molecular Weight 436.525
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAMIDINE MONOMESYLATE

SMILES

CS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1

InChI

InChIKey=LCNPURURRXMYET-UHFFFAOYSA-N
InChI=1S/C19H24N4O2.CH4O3S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;1-5(2,3)4/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H24N4O2
Molecular Weight 340.4195
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 05:54:41 UTC 2023
Edited
by admin
on Sat Dec 16 05:54:41 UTC 2023
Record UNII
HMB3ISP7OB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTAMIDINE MONOMESYLATE
Common Name English
PENTAMIDINE MONOMESILATE
Common Name English
BENZENECARBOXIMIDAMIDE, 4,4'-(1,5-PENTANEDIYLBIS(OXY))BIS-, MONOMETHANESULFONATE
Systematic Name English
PENTAMIDINE MONOMETHANESULFONATE
Common Name English
Code System Code Type Description
FDA UNII
HMB3ISP7OB
Created by admin on Sat Dec 16 05:54:41 UTC 2023 , Edited by admin on Sat Dec 16 05:54:41 UTC 2023
PRIMARY
CAS
112667-20-6
Created by admin on Sat Dec 16 05:54:41 UTC 2023 , Edited by admin on Sat Dec 16 05:54:41 UTC 2023
PRIMARY
PUBCHEM
24834404
Created by admin on Sat Dec 16 05:54:41 UTC 2023 , Edited by admin on Sat Dec 16 05:54:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID20150132
Created by admin on Sat Dec 16 05:54:41 UTC 2023 , Edited by admin on Sat Dec 16 05:54:41 UTC 2023
PRIMARY
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