UCSF

ZINC00896836

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 20 No

Popular Name: Oxamniquine Oxamniquine

Find On: PubMed — Wikipedia — Google

CAS Number: 21738-42-1

Other Names:

(2-{[(1-methylethyl)amino]methyl}-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl)methanol

1,2,3,4-Tetrahydro-2-(((1-methylethyl)amino)methyl)-7-nitro-6-quinolinemethanol

1,2,3,4-Tetrahydro-2-(((1-methylethyl)amino)methyl)-7-nitro-6-quinolinemethanol; 1,2,3,4-Tetrahydro-2-((isopropylamino)methyl)-7-nitro-6-quinolinemethanol; 2-((Isopropylamino)methyl)-7-nitro-1,2,3,4-tetrahydro-6-quinolinemethanol; 6-Hydroxymethyl-2-isopro

1,2,3,4-Tetrahydro-2-((isopropylamino)methyl)-7-nitro-6-quinolinemethanol

1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinemethanol

2-((Isopropylamino)methyl)-7-nitro-1,2,3,4-tetrahydro-6-quinolinemethanol

2-(Isopropylaminomethyl)-7-nitro-1,2,3,4-tetrahydroquinoline-6-methanol

21738-42-1

21738-42-1; C07341; Oxamniquine

21738-42-1; D00460; Mansil (TN); Oxamniquine (USAN/INN); Vansil (TN)

5-22-11-00475 (Beilstein Handbook Reference)

6-Hydroxymethyl-2-isopropylaminomethyl-7-nitro-1,2,3,4-tetrahydroquinoline

6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-(((1-methylethyl)amino)methyl)-7-nitro-

6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-((isopropylamino)methyl)-7-nitro-

6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-[(isopropylamino)methyl]-7-nitro-

6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-[[(1-methylethyl)amino]methyl]-7-nitro-

AC1L1IK1

BRN 0485597

C07341

C14H21N3O3

CCRIS 4113

CHEMBL847

CID4612

D00460

DAP000992

DB01096

EINECS 244-556-4

FDA

HMS1571M13

HSDB 6510

INN

LS-142025

Mansil

Mansil (TN)

MFCD00866725

MLS000756891

NSC 352888

NSC352888

Oxaminiquine

Oxamniquina

Oxamniquina [INN-Spanish]

Oxamniquine (BAN

Oxamniquine (USAN/INN)

OXAMNIQUINE DISCONTINUED

Oxamniquine [USAN:BAN:INN]

Oxamniquinum

Oxamniquinum [INN-Latin]

Prestwick0_001026

Prestwick1_001026

Prestwick2_001026

SMR000528982

SPBio_003072

UK 4261

UK 4271

UK-4271

UNII-0O977R722D

USAN

USP)

Vansil

Vansil (TN)

Vansil; Mansil; UK 4261; UK 4271; UK-4271; 2-(Isopropylaminomethyl)-7-nitro-1,2,3,4-tetrahydroquinoline-6-methanol; 1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinemethanol

[7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methanol

{2-[(Isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol

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) 2.62 4.07 -49.02 4 6 1 95 280.348 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.24e-01 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0024868A1; EP0164927A2; EP0211575A2; EP0333311A1; EP0333311B1; EP0398663A1; EP0414730A1; EP0414730B1; EP0830859A3; EP0932420A1; EP0935523A1; EP0951280A1; EP1021204A2; US4303659; US4328215; US4413062; US4511773; US4642230; US5232441; US5424333; US5428163 IBM Patent Data

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