UCSF

ZINC01530938

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 18 Yes

CAS Numbers: 133-16-4 , 3858-89-7 , [3858-89-7]

Other Names:

caine

133-16-4

133-16-4; C07877; Chloroprocaine

133-16-4; Chloroprocaine (INN); D07678

2-(4-amino-2-chlorobenzoyl)oxyethyl-diethylazanium chloride

2-(Diethylamino)ethyl 4-amino-2-chlorobenzoate

2-(Diethylamino)ethyl 4-amino-2-chlorobenzoate hydrochloride; 2-(Diethylamino)ethyl 4-amino-2-chlorobenzoate monohydrochloride; 2-Chloroprocaine hydrochloride; 2-Diethylaminoethyl 4-amino-2-chlorobenzoate hydrochloride; 4-Amino-2-chlorobenzoic acid 2-(die

2-(diethylamino)ethyl 4-amino-2-chlorobenzoate monohydrochloride; 4-amino-2-chlorobenzoic acid 2-(diethylamino)ethyl ester hydrochloride; chloroprocaine HCl

2-(Diethylaminoethyl)-4-amino-2-chlorobenzoate

2-Chloroprocaine

2-chloroprocaine; 4-amino-2-chlorobenzoic acid 2-(diethylamino)ethyl ester; Chloroprocaine; chloroprocain

2-Diethylaminoethyl 4-amino-2-chloro-benzoate

2-diethylaminoethyl 4-amino-2-chlorobenzoate

3858-89-7 (hydrochloride)

3858-89-7; Chloroprocaine hydrochloride (USP); D00732; Nesacaine (TN)

4-14-00-01273 (Beilstein Handbook Reference)

4-amino-2-chlorobenzoic acid 2-(diethylamino)ethyl ester

639

AC1L1RCM

Benzoic acid, 4-amino-2-chloro-, 2-(diethylamino)ethyl ester

BRN 2808071

C07877

C13H19ClN2O2

CHEBI:189357

CHEBI:3636

Chlor-procaine

Chloroprocain

Chloroprocain;Chlorprocaine

Chloroprocaine (INN)

Chloroprocaine (INN); Chloroprocaine HCl (FDA

Chloroprocaine (INN); Chloroprocaine HCl (USP

Chloroprocaine (INN); Chloroprocaine Hydrochloride (FDA

Chloroprocaine HCl

Chloroprocaine hydrochloride

Chloroprocaine [INN]

chloroprocaine; chloroprocainum; cloroprocaina

Chloroprocainum

Chloroprocainum [INN-Latin]

Chlorprocaine

Chlorprocainum

CID8612

Cloroprocaina

Cloroprocaina [INN-Spanish]

D07678

DAP000131

DB01161

FDA)

Halestyn

HSDB 3301

LS-35706

MFCD00025215

MFCD00864416

N/A

Nesacaine

Nesacaine MPF

Nesacaine-CE

Nesacaine-mpf

Piocaine

UNII-5YVB0POT2H

USP)

Download: MOL2 SDF SMILES Flexibase

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) 2.23 7.11 -37.61 3 4 1 57 271.768 7

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.025 Bitter DB
ALOGPS_SOLUBILITY 1.30e+00 g/l DrugBank-approved
Target Others Selleck Chemicals
Target Sodium Channel Selleck Chemicals

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.