Pamoic acid

C₂₃H₁₆O₆CAS 130-85-8388.38 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₂₃H₁₆O₆
Molar mass: 388.38 g/mol
Exact mass: 388.0947 Da
Melting point: 315 °C
logP: 4.39Crippen estimate
Polar surface area: 115.1 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed15.3% of notifiers
H315 Causes skin irritation84.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation70.8% of notifiers
H412 Harmful to aquatic life with long lasting effects15.3% of notifiers

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

130-85-8

SMILES

O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O

InChIKey

WLJNZVDCPSBLRP-UHFFFAOYSA-N

InChI

InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

NSC 30188
NSC 40132
KG 122
4,4′-Methylenebis(3-hydroxy-2-naphthalenecarboxylic acid)
4-[(3-Carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
2-Naphthalenecarboxylic acid, 4,4′-methylenebis[3-hydroxy-
2-Naphthoic acid, 4,4′-methylenebis[3-hydroxy-
4,4′-Methylenebis[3-hydroxy-2-naphthalenecarboxylic acid]
2,2′-Dihydroxy-1,1′-dinaphthylmethane-3,3′-dicarboxylic acid
Embonic acid
Bis(2-hydroxy-3-carboxy-1-naphthyl)methane
4,4′-Methylenebis[3-hydroxy-2-naphthoic acid]

Work with Pamoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pyrvinium pamoate3546-41-6Salt Hydroxyzine pamoate10246-75-0Salt Pyrantel pamoate22204-24-6Salt Disodium pamoate6640-22-8Salt Oxantel pamoate68813-55-8Salt

Similar compounds

1-Hydroxy-2-naphthoic acid86-48-656 % similar 1,4-Dihydroxy-2-naphthoic acid31519-22-955 % similar 2,3-Naphthalenedicarboxylic acid2169-87-154 % similar 3-Hydroxy-2-naphthoic acid92-70-651 % similar 9-Anthracenecarboxylic acid723-62-650 % similar 1-Naphthoic acid86-55-550 % similar 3,5-Dihydroxy-2-naphthalenecarboxylic acid89-35-050 % similar 3-Amino-2-naphthoic acid5959-52-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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