CAS
94213-20-4 Purity
96%
94213-20-4 Purity
96%
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(R)-De(carboxymethoxy)cetirizine acetic acid hydrochloride
CAS
942132-30-1
Catalog Number
ACM942132301
Category
Other Products
Molecular Weight
381.30
Molecular Formula
C19H22Cl2N2O2
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Specification
Synonyms
4-[(R)-(4-Chlorophenyl)phenylmethyl]-1-piperazineacetic Acid Hydrochloride;
IUPAC Name
2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetic acid;hydrochloride
Canonical SMILES
C1CN(CCN1CC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl
InChI Key
VTGWDLPASRYLSI-FSRHSHDFSA-N
Exact Mass
380.10600
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of (R)-De(carboxymethoxy)cetirizine acetic acid hydrochloride?
The molecular formula is C19H22Cl2N2O2.
When was (R)-De(carboxymethoxy)cetirizine acetic acid hydrochloride created and modified?
It was created on 2017-10-28 and modified on 2023-12-30.
What is the IUPAC name of (R)-De(carboxymethoxy)cetirizine acetic acid hydrochloride?
The IUPAC name is 2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetic acid; hydrochloride.
What is the InChI of (R)-De(carboxymethoxy)cetirizine acetic acid hydrochloride?
The InChI is InChI=1S/C19H21ClN2O2.ClH/c20-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)22-12-10-21(11-13-22)14-18(23)24;/h1-9,19H,10-14H2,(H,23,24);1H/t19-;/m0./s1.
What is the InChIKey of (R)-De(carboxymethoxy)cetirizine acetic acid hydrochloride?
The InChIKey is VTGWDLPASRYLSI-FYZYNONXSA-N.
How many hydrogen bond donor counts does (R)-De(carboxymethoxy)cetirizine acetic acid hydrochloride have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of (R)-De(carboxymethoxy)cetirizine acetic acid hydrochloride?
The topological polar surface area is 43.8 Å2.
How many rotatable bond counts does (R)-De(carboxymethoxy)cetirizine acetic acid hydrochloride have?
It has 5 rotatable bond counts.
Is (R)-De(carboxymethoxy)cetirizine acetic acid hydrochloride a canonicalized compound?
Yes, it is a canonicalized compound.
How many atoms are present in (R)-De(carboxymethoxy)cetirizine acetic acid hydrochloride's heavy atom count?
There are 25 atoms in the heavy atom count.
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