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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H27N3O.H3O4P
Molecular Weight 399.4217
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAQUINE PHOSPHATE

SMILES

OP(O)(O)=O.COC1=CC2=CC=CN=C2C(NCCCCCNC(C)C)=C1

InChI

InChIKey=MFHDWFVXLYMMKW-UHFFFAOYSA-N
InChI=1S/C18H27N3O.H3O4P/c1-14(2)19-9-5-4-6-10-20-17-13-16(22-3)12-15-8-7-11-21-18(15)17;1-5(2,3)4/h7-8,11-14,19-20H,4-6,9-10H2,1-3H3;(H3,1,2,3,4)

HIDE SMILES / InChI

Approval Year

Name Type Language
PENTAQUINE PHOSPHATE
Common Name English
8-(5-ISOPROPYLAMINOAMYLAMINO)-6-METHOXY QUINOLINE PHOSPHATE
Systematic Name English
NSC-13280
Code English
Code System Code Type Description
CAS
5428-64-8
Created by admin on Fri Dec 15 15:10:39 UTC 2023 , Edited by admin on Fri Dec 15 15:10:39 UTC 2023
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NSC
13280
Created by admin on Fri Dec 15 15:10:39 UTC 2023 , Edited by admin on Fri Dec 15 15:10:39 UTC 2023
PRIMARY
PUBCHEM
21557
Created by admin on Fri Dec 15 15:10:39 UTC 2023 , Edited by admin on Fri Dec 15 15:10:39 UTC 2023
PRIMARY
FDA UNII
9B8SN90ODH
Created by admin on Fri Dec 15 15:10:39 UTC 2023 , Edited by admin on Fri Dec 15 15:10:39 UTC 2023
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ChEMBL
CHEMBL35802
Created by admin on Fri Dec 15 15:10:39 UTC 2023 , Edited by admin on Fri Dec 15 15:10:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID70969317
Created by admin on Fri Dec 15 15:10:39 UTC 2023 , Edited by admin on Fri Dec 15 15:10:39 UTC 2023
PRIMARY