UCSF

ZINC00000122

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 20 Yes

Other Names:

(+-)-Carbinoxamine

(+-)-carbinoxamine; 2-(p-chloro-alpha-(2-(dimethylamino)ethoxy)benzyl)pyridine; Carbinoxamine; carbinoxamine base; paracarbinoxamine

(-)-2-(p-chloro-alpha-(2-(dimethylamino)ethoxy)benzyl)pyridine; (-)-carbinoxamine; (S)-(-)-carbinoxamine; levocarbinoxamine; rotoxamina; rotoxaminum

(S)-carbinoxamine

(Z)-but-2-enedioic acid; 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine

2-((4-Chlorophenyl)(pyridin-2-yl)methoxy)-N,N-dimethylethanamine

2-(p-Chloro-alpha-(2-(dimethylamino)ethoxy)benzyl)pyridine

2-(p-Chloro-alpha-(2-(dimethylamino)ethoxy)benzyl)pyridine bimaleate; 2-(p-Chloro-alpha-(2-(dimethylamino)ethoxy)benzyl)pyridine maleate; 2-(p-Chloro-alpha-(2-(dimethylamino)ethoxy)benzyl)pyridine maleate (1:1); Allergefon; Allergefon maleate; C16H19ClN2O

2-(p-chloro-alpha-(2-(dimethylamino)ethoxy)benzyl)pyridine maleate; 2-[(4-chlorophenyl)(pyridin-2-yl)methoxy]-N,N-dimethylethanamine maleate; p-carbinoxamine maleate; paracarbinoxamine maleate

2-[(4-chlorophenyl)(pyridin-2-yl)methoxy]-N,N-dimethylethanamine

2-[(4-chlorophenyl)(pyridin-2-yl)methoxy]-N,N-dimethylethanamine maleate

2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine

2-{[(4-chlorophenyl)(pyridin-2-yl)methyl]oxy}-N,N-dimethylethanamine

3505-38-2 (MALEATE)

3505-38-2; Carbinoxamine maleate (JAN/USP); Clistin (TN); D01336

3505-38-2; Carbinoxamine maleate salt; Prestwick_238

3505-38-2; CPD001496929; Carbinoxamine Maleate; SAM002589920

486-16-8

486-16-8; C06871; Carbinoxamine

486-16-8; Carbinoxamine (INN); D07617

5-21-03-00492 (Beilstein Handbook Reference)

59811-38-0

627

AB00053430

AC-5507

AC1L1DYK

AKOS003334261

Allergefon

BPBio1_000729

BRD-A29426959-050-05-8

BRN 0250475

BSPBio_000661

BSPBio_001933

but-2-enedioic acid; {2-[(4-chlorophenyl)(pyridin-2-yl)methoxy]ethyl}dimethylamine

C06871

C16H19ClN2O

Carbinoxamina

Carbinoxamina [INN-Spanish]

carbinoxamina; carbinoxamine; carbinoxaminum

Carbinoxamine

Carbinoxamine (BAN

Carbinoxamine (INN)

Carbinoxamine base

Carbinoxamine maleate salt

Carbinoxamine Maleate;Paracarbinoxamine;Paracarinoxamine

Carbinoxamine [INN:BAN]

Carbinoxaminum

Carbinoxaminum [INN-Latin]

CHEBI:166273

CHEBI:3398

CHEMBL864

CID2564

Clistin

Clistine

CPD001496929; Carbinoxamine Maleate; SAM002589920

D07617

DAP001069

DB00748

DivK1c_000819

EINECS 207-628-6

Ethanamine, 2-((4-chlorophenyl)-2-pyridinylmethoxy)-N,N-dimethyl-

Ethanamine, 2-((4-chlorophenyl)-2-pyridinylmethoxy)-N,N-dimethyl- (9CI)

Ethanamine, 2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethyl-

Ethanamine, 2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethyl-, (-)-

ethanamine, 2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethyl-, (2E)-2-butenedioate (1:1)

ethanamine, 2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethyl-, maleate

I14-3528

IDI1_000819

INN); Carbinoxamine Maleate (FDA

JAN

JAN)

KBio1_000819

KBio2_000520

KBio2_003088

KBio2_005656

KBio3_001153

KBioGR_000728

KBioSS_000520

L000924

LS-131075

McN-R 73Z

MFCD00050923

MFCD00082461

MFCD00137402

N,N-Dimethyl-2-(p-chloro-alpha-(2-pyridyl)benzyloxy)ethylamine

N-{2-[(4-chlorophenyl)(2-pyridinyl)methoxy]ethyl}-N,N-dimethylamine

NCGC00166141-01

NCGC00166141-02

NCGC00166141-03

NINDS_000819

Oprea1_764868

Paracarbinoxamine

Paracarinoxamine

Prestwick0_000801

Prestwick1_000801

Prestwick2_000801

Prestwick3_000801

Pyridine, 2-(p-chloro-alpha-(2-(dimethylamino)ethoxy)benzyl)-

Rotoxamine

SBB067454

SPBio_000993

SPBio_002582

Spectrum2_001127

Spectrum3_000327

Spectrum4_000264

Spectrum5_000700

Spectrum_000100

Twiston

UNII-982A7M02H5

UNII-VED9E376NC

USP

USP)

{2-[(4-chlorophenyl)(pyridin-2-yl)methoxy]ethyl}dimethylamine

{2-[(4-chlorophenyl)(pyridin-2-yl)methoxy]ethyl}dimethylamine but-2-enedioate

{2-[(4-chlorophenyl)(pyridin-2-yl)methoxy]ethyl}dimethylamine maleate

{2-[(4-Chlorophenyl)-2-pyridylmethoxy]ethyl}dimethylamine

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.01 9.21 -38.7 1 3 1 27 291.802 6

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 6.589 Bitter DB
MP 119 - 121 Enamine Building Blocks
MP 119...121 Enamine Building Blocks
ALOGPS_SOLUBILITY 2.28e-01 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy antihistaminic SMDC Iconix
PUBCHEM_PATENT_ID EP0245518A1; EP1054998A1; US3102845; US4154105; US4841077; US4960908; US5795909; US6060293; WO1990014847A1; WO1996030394A1; WO1997015505A1; WO1997035146A1; WO1999030690A1; WO1999036570A2; WO2000040604A2 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : G-1214; NCC_SUPPLIER_SAMPLE_COMMENTS : OFF-WHITE POWDER; 1 maleic acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: G-1214; SALT: 1 maleic acid; SUPPLIER_COMMENTS: OFF-WHITE POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )