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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H13ClNO5P
Molecular Weight 377.716
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAPHTHOLAS-EPHOSPHATE

SMILES

OP(O)(=O)OC1=CC2=C(C=CC=C2)C=C1C(=O)NC3=CC=C(Cl)C=C3

InChI

InChIKey=RQAQWBFHPMSXKR-UHFFFAOYSA-N
InChI=1S/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23)

HIDE SMILES / InChI

Approval Year

Name Type Language
KG-501
Preferred Name English
NAPHTHOLAS-EPHOSPHATE
Common Name English
N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE
Systematic Name English
NAPHTHOL AS-E PHOSPHATE
Common Name English
3-HYDROXY-2-(HYDROXYMETHYL)-2-METHYL-1-PHENYL-1-PROPANONE
Systematic Name English
NSC-746568
Code English
Code System Code Type Description
EPA CompTox
DTXSID10171275
Created by admin on Tue Apr 01 16:28:36 GMT 2025 , Edited by admin on Tue Apr 01 16:28:36 GMT 2025
PRIMARY
FDA UNII
H6R6B93QFC
Created by admin on Tue Apr 01 16:28:36 GMT 2025 , Edited by admin on Tue Apr 01 16:28:36 GMT 2025
PRIMARY
PUBCHEM
87517
Created by admin on Tue Apr 01 16:28:36 GMT 2025 , Edited by admin on Tue Apr 01 16:28:36 GMT 2025
PRIMARY
DRUG BANK
DB08240
Created by admin on Tue Apr 01 16:28:36 GMT 2025 , Edited by admin on Tue Apr 01 16:28:36 GMT 2025
PRIMARY
ECHA (EC/EINECS)
242-106-1
Created by admin on Tue Apr 01 16:28:36 GMT 2025 , Edited by admin on Tue Apr 01 16:28:36 GMT 2025
PRIMARY
NSC
746568
Created by admin on Tue Apr 01 16:28:36 GMT 2025 , Edited by admin on Tue Apr 01 16:28:36 GMT 2025
PRIMARY
CAS
18228-17-6
Created by admin on Tue Apr 01 16:28:36 GMT 2025 , Edited by admin on Tue Apr 01 16:28:36 GMT 2025
PRIMARY
SMS_ID
300000051219
Created by admin on Tue Apr 01 16:28:36 GMT 2025 , Edited by admin on Tue Apr 01 16:28:36 GMT 2025
PRIMARY