Deacetyl-O-demethyl diltiazem hydrochloride

CAS

96252-32-3

Catalog Number

ACM96252323

Category

Other Products

Molecular Weight

394.92

Molecular Formula

C₁₉H₂₃ClN₂O₃S

MSDS COA Spec Sheet

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Specification

Synonyms

(2S,3S)-5-[2-(Dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-hydroxyphenyl)-1,5-benzothiazepin-4(5H)-one Hydrochloride; Deacetyl-O-demethyl-d-diltiazem Hydrochloride; Deacetyl-O-demethyldiltiazem Hydrochloride;

IUPAC Name

(3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride

InChI Key

NPMHEOKYIXUNBP-XRVQSCEISA-N

Appearance

White Solid

Exact Mass

394.11200

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Deacetyl-O-demethyl diltiazem hydrochloride?

The molecular formula of Deacetyl-O-demethyl diltiazem hydrochloride is C19H23ClN2O3S.

What is the molecular weight of Deacetyl-O-demethyl diltiazem hydrochloride?

The molecular weight of Deacetyl-O-demethyl diltiazem hydrochloride is 394.9 g/mol.

What are the synonyms of Deacetyl-O-demethyl diltiazem hydrochloride?

Some synonyms of Deacetyl-O-demethyl diltiazem hydrochloride are 40602-08-2, 96252-32-3, and DTXSID70961013.

What is the parent compound of Deacetyl-O-demethyl diltiazem hydrochloride?

The parent compound of Deacetyl-O-demethyl diltiazem hydrochloride is CID 218445, which has a similar chemical structure.

What is the IUPAC name of Deacetyl-O-demethyl diltiazem hydrochloride?

The IUPAC name of Deacetyl-O-demethyl diltiazem hydrochloride is 5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride.

What is the InChIKey of Deacetyl-O-demethyl diltiazem hydrochloride?

The InChIKey of Deacetyl-O-demethyl diltiazem hydrochloride is NPMHEOKYIXUNBP-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Deacetyl-O-demethyl diltiazem hydrochloride have?

Deacetyl-O-demethyl diltiazem hydrochloride has 3 hydrogen bond donor counts.

What is the exact mass of Deacetyl-O-demethyl diltiazem hydrochloride?

The exact mass of Deacetyl-O-demethyl diltiazem hydrochloride is 394.1117915 g/mol.

Is Deacetyl-O-demethyl diltiazem hydrochloride a canonicalized compound?

Yes, Deacetyl-O-demethyl diltiazem hydrochloride is a canonicalized compound.

What is the topological polar surface area of Deacetyl-O-demethyl diltiazem hydrochloride?

The topological polar surface area of Deacetyl-O-demethyl diltiazem hydrochloride is 89.3 Å².