Pseudoephedrine Hydrochloride

Details

• Internal ID: d64577c0-ceb6-4f72-822e-02d447c7ba44
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Phenylpropanes
• IUPAC Name: (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride
• InChI: InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1
• InChI Key: BALXUFOVQVENIU-KXNXZCPBSA-N
• Popularity: 648 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆ClNO
• Molecular Weight: 201.69 g/mol
• Exact Mass: 201.0920418 g/mol
• Topological Polar Surface Area (TPSA): 32.30 Ų
• XlogP: 0.00
• Atomic LogP (AlogP): 1.75
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Rotatable Bonds: 3

Synonyms

• Pseudoephedrine Hcl
• 345-78-8
• Rhinalair
• Otrinol
• Novafed
• d-Pseudoephedrine hydrochloride
• Sudafed 12 Hour
• Galsud
• Sudafed Plus
• Sudafed 24 Hour
• Efidac 24
• L(+)-Pseudoephedrine hydrochloride
• 6V9V2RYJ8N
• NSC-33634
• Topcare 12 hour decongestant
• NSC-106567
• GALPSEUD
• CHEBI:8604
• D-(alpha-(1-Methylamino)ethyl)benzyl alcohol hydrochloride
• DTXSID10889343
• NSC33634
• NSC106567
• Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, hydrochloride, (alphaS)-
• Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, hydrochloride (1:1), (alphaS)-
• Pseudophed
• Sudogest
• Sinus
• Dimotane plus
• Galpseud plus
• Pseudo-time
• Sudafed-sa
• Otrivine mu-cron
• Zephrex D
• Zephrex-D
• Childrens Sudafed
• Childrens Uniphed
• Sinus Decongestion
• pseudoephedrine.hcl
• SudoGest 12 Hour
• Dimotane plus l.a.
• Sinus and Congestion
• Nasal Decongestant D
• Good Sense Suphedrine
• equate sinus 12 hour
• RefChem:6180
• Rugby Nasal Decongestant
• Leader Nasal Decongestant
• Sudafed 12 hr decongest
• equaline nasal decongestant
• SUDAFED Sinus Congestion
• Topcare Nasal Decongestant
• Sudogest Nasal Decongestant
• 12 Hour Nasal Decongestant
• Good Sense Nasal Decongestant
• Nasal Decongestant Non-drowsy
• Pseudoephedrine HCl Unit Dose
• Equaline 12 Hour Decongestant
• Good Sense Suphedrine 12 Hour
• Sinus and Congestion Non-Drowsy
• Sudafed Sinus Congestion 12 Hour
• Sudafed Sinus Congestion 24 Hour
• DTXCID401028605
• Leader 12 Hour Nasal Decongestant
• Childrens Sudafed Nasal Decongestant
• Childrens Uniphed Nasal Decongestant
• CareOne Nasal and Sinus Decongestant
• Sinus Pressure and Congestion Relief
• Cvs Health Non-drowsy Nasal Decongestant
• Good Neighbor Pharmacy Nasal Decongestant
• Rugby Nasal Decongestant Nasal Decongestant
• Nasal Decongestant Maximum Strength Non Drowsy
• Nasal Decongestant Maximum Strength, Non-Drowsy
• Sinus Pressure and Congestion Relief Maximum Strength
• Topcare Nasal Decongestant Maximum Strength Non Drowsy
• Equaline Nasal Decongestant Non Drowsy Maximum Strength
• hydron;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;chloride
• 206-462-1
• Tussaphed
• Sudafed
• Sudomyl
• First sign
• Besan
• Sudafed hydrochloride
• Pseudophedrine hydrochloride
• (+)-Pseudoephedrine hydrochloride
• 1S,2S-(+)-Pseudoephedrine hydrochloride
• Sinufed
• CoAdvil
• (+)-Pseudoephedrine.HCl
• Symptom 2
• Pseudoephedrine, L-(+)-
• Suphedrine
• Nexafed
• Dorcol
• L-(+)-Pseudoephedrine hydrochloride
• Sun mark sinus
• Deconsal II
• Sudafed Liquid, Children's
• PediaCare Decongestant Drops
• (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride
• Benzenemethanol, hydrochloride, S-(R,R)-
• WLN: QYR & Y1 & M1 & GH-L
• Dimetapp Decongestant
• Actifed Sinus Daytime
• CPDD 0050
• Benzenemethanol, hydrochloride, [S-(R*,R*)]-
• EINECS 206-462-1
• Pseudoephedrine hydrochloride [USAN]
• NSC 33634
• UNII-6V9V2RYJ8N
• NSC 106567
• D-[.alpha.-(1-Methylamino)ethyl]benzyl alcohol hydrochloride
• Ornex and Maximum Strength Ornex
• Sudafed (TN)
• Pseudoephedrine, hydrochloride, L-(+)-
• Pseudoephedrine hydrochloride [USAN:USP]
• Tylenol Sinus Medication, Maximum Strength
• Isoephedrine Hydrochloride
• Contac Day & Night Allergy Sinus Day Caplets
• psi-Ephedrine Hydrochloride
• Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(R*,R*))-
• EC 206-462-1
• SCHEMBL33285
• MLS001304069
• SPECTRUM1500516
• CHEMBL1200724
• Sine-Off Maximum Strength No Drowsiness Formula Caplets
• DMJSCEPQTCUJQW-KXNXZCPBSA-N
• HMS1920N04
• Pharmakon1600-01500516
• DEA NO. 8112 (Hydrochloride)
• Pseudoephedrine hydrochloride (USP)
• CCG-39241
• NSC759616
• AKOS027383893
• Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (S-(R*,R*))-, hydrochloride
• NSC-759616
• Benzenemethanol, .alpha.-[(1S)-1-(methylamino)ethyl]-, hydrochloride, (.alpha.S)-
• Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(theta,theta))-
• PSEUDOEPHEDRINE HYDROCHLORIDE [MI]
• SMR000718787
• (+)-Pseudoephedrine hydrochloride, >=98%
• NS00079374
• P1654
• PSEUDOEPHEDRINE HYDROCHLORIDE [MART.]
• PSEUDOEPHEDRINE HYDROCHLORIDE [VANDF]
• PSEUDOEPHEDRINE HYDROCHLORIDE [USP-RS]
• PSEUDOEPHEDRINE HYDROCHLORIDE [WHO-DD]
• D00485
• 345P788
• PSEUDOEPHEDRINE HYDROCHLORIDE [ORANGE BOOK]
• MYFED COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• PSEUDOEPHEDRINE HYDROCHLORIDE [EP MONOGRAPH]
• PSEUDOEPHEDRINE HYDROCHLORIDE [USP MONOGRAPH]
• ACTAHIST COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• ACTIFED COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• ALEVE-D COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• ALLERFED COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• CORPHED COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• HISTAFED COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• ISOCLOR COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• Q27108108
• TRIPHED COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• ZYRTEC-D COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• ALLEGRA-D COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• BROMFED-DM COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• MUCINEX D COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• SEMPREX-D COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• TRIACIN-C COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• TRILITRON COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• (+)-Pseudoephedrine hydrochloride, Sigma Reference Standard
• BROMANATE DM COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• DIMETANE-DX COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• SINE-AID IB COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• (1S,2S)-2-(Methylamino)-1-phenyl-1-propanol Hydrochloride
• CODIMAL-L.A. 12 COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• ADVIL ALLERGY SINUS COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• CHILDREN'S ADVIL COLD COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• CHILDREN'S MOTRIN COLD COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
• (+)-Pseudoephedrine Hydrochloride 1.0 mg/ml in Methanol (as free base)
• Pseudoephedrine hydrochloride, British Pharmacopoeia (BP) Reference Standard
• Benzenemethanol, .alpha.-[(1S)-1-(methylamino)ethyl]-, hydrochloride (1:1), (.alpha.S)-
• Pseudoephedrine hydrochloride, European Pharmacopoeia (EP) Reference Standard
• Pseudoephedrine hydrochloride, United States Pharmacopeia (USP) Reference Standard

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	0.9897	98.97%
Caco-2	+	0.9313	93.13%
Blood Brain Barrier	-	0.7000	70.00%
Human oral bioavailability	+	0.7714	77.14%
Subcellular localzation	Lysosomes	0.5164	51.64%
OATP2B1 inhibitior	-	1.0000	100.00%
OATP1B1 inhibitior	+	0.9603	96.03%
OATP1B3 inhibitior	+	0.9610	96.10%
MATE1 inhibitior	-	1.0000	100.00%
OCT2 inhibitior	-	0.9000	90.00%
BSEP inhibitior	-	0.9237	92.37%
P-glycoprotein inhibitior	-	0.9741	97.41%
P-glycoprotein substrate	-	0.9174	91.74%
CYP3A4 substrate	-	0.7698	76.98%
CYP2C9 substrate	-	1.0000	100.00%
CYP2D6 substrate	+	0.6099	60.99%
CYP3A4 inhibition	-	0.8730	87.30%
CYP2C9 inhibition	-	0.7209	72.09%
CYP2C19 inhibition	+	0.6347	63.47%
CYP2D6 inhibition	+	0.5692	56.92%
CYP1A2 inhibition	+	0.6111	61.11%
CYP2C8 inhibition	-	0.9852	98.52%
CYP inhibitory promiscuity	-	0.8955	89.55%
UGT catelyzed	+	0.8000	80.00%
Carcinogenicity (binary)	-	0.5369	53.69%
Carcinogenicity (trinary)	Non-required	0.7466	74.66%
Eye corrosion	-	0.9803	98.03%
Eye irritation	-	0.9696	96.96%
Skin irritation	-	0.6084	60.84%
Skin corrosion	+	0.5190	51.90%
Ames mutagenesis	-	0.9700	97.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.7640	76.40%
Micronuclear	-	0.5000	50.00%
Hepatotoxicity	+	0.6651	66.51%
skin sensitisation	-	0.7443	74.43%
Respiratory toxicity	+	0.9222	92.22%
Reproductive toxicity	-	0.5667	56.67%
Mitochondrial toxicity	+	0.8625	86.25%
Nephrotoxicity	-	0.6467	64.67%
Acute Oral Toxicity (c)	III	0.8678	86.78%
Estrogen receptor binding	-	0.9205	92.05%
Androgen receptor binding	-	0.8448	84.48%
Thyroid receptor binding	-	0.8826	88.26%
Glucocorticoid receptor binding	-	0.9120	91.20%
Aromatase binding	-	0.8514	85.14%
PPAR gamma	-	0.9004	90.04%
Honey bee toxicity	-	0.9384	93.84%
Biodegradation	-	0.9500	95.00%
Crustacea aquatic toxicity	-	0.5200	52.00%
Fish aquatic toxicity	-	0.7498	74.98%

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL221	P23219	Cyclooxygenase-1	95.63%	90.17%
CHEMBL2581	P07339	Cathepsin D	91.51%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.76%	95.56%
CHEMBL4208	P20618	Proteasome component C5	85.66%	90.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.55%	85.14%
CHEMBL3902	P09211	Glutathione S-transferase Pi	85.00%	93.81%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.78%	96.09%
CHEMBL2535	P11166	Glucose transporter	82.59%	98.75%
CHEMBL3401	O75469	Pregnane X receptor	81.47%	94.73%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	80.16%	89.23%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9581
• NPASS: NPC150254