Compound Summary

  Compound Information
 chlorambucil

Compound Name:

chlorambucil

Compound CID:

2708

Synonyms:

chlorambucil

305-03-3

Chloroambucil

Ambochlorin

Leukeran

More...

Iupac Name:

4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid

InChI:

InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)

InChIKey:

JCKYGMPEJWAADB-UHFFFAOYSA-N

Canonical Smiles:

C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl

Isomeric Smiles:

C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl

Molecular Weight:

304.2

Molecular Formula:

C14H19Cl2NO2

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 chlorambucil

Molecular Weight:

304.2

Molecular Formula:

C14H19Cl2NO2

Hydrogen Bond Donor Count:

1

Hydrogen Bond Acceptor Count:

3

Rotatable Bond Count:

9

Heavy Atom Count:

19

Complexity:

250

  Synonyms
 chlorambucil

chlorambucil chlorambucil

chlorambucil

305-03-3

Chloroambucil

Ambochlorin

Leukeran

Chloraminophen

Chlorbutin

Chloraminophene

Chlorobutine

Amboclorin

Chlorbutine

Chlorobutin

Chlocambucil

Linfolizin

Linfolysin

Ecloril

Elcoril

Phenylbutyric acid nitrogen mustard

Lympholysin

Leukersan

Leukoran

4-{4-bis(2-chloroethyl)aminophenyl}butanoic acid

Cb l348

NSC-3088

Benzenebutanoic acid, 4-bis(2-chloroethyl)amino-

CB 1348

Phenylbuttersaeure-lost

NSC 3088

Rcra waste number U035

NCI-C03485

4-p-Bis(2-chloroethyl)aminophenylbutyric acid

chlorambucilddv

4-(4-(Bis(2-chloroethyl)amino)phenyl)butanoic acid

4-4-bis(2-chloroethyl)aminophenylbutanoic acid

N,N-Di-2-chloroethyl-gamma-p-aminophenylbutyric acid

CB-1348

4-(Bis(2-chloroethyl)amino)benzenebutanoic acid

p-(N,N-Di-2-chloroethyl)aminophenyl butyric acid

4-(p-Bis(beta-chloroethyl)aminophenyl)butyric acid

UNII-18D0SL7309

CHEBI:28830

NSC3088

4-Bis(2-chloroethyl)aminobenzenebutyric acid

4-Bis(2-chloroethyl)aminobenzenebutanoic acid

CHEMBL515

gamma-p-Di(2-chloroethyl)aminophenylbutyric acid

Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-

MLS000028443

Chloorambucol

Chlorbutinum

Elcorin

4-(Bis(2-chloroethyl)amino)phenylbutyric acid

4-(p-(Bis(2-chloroethyl)amino)phenyl)butyric acid

gamma-(p-Di(2-chloroethyl)aminophenyl)butyric acid

Butyric acid, 4-(p-bis(2-chloroethyl)aminophenyl)-

MFCD00021783

18D0SL7309

Kyselina 4-(N,N-bis-(2-chlorethyl)-p-aminofenyl)maselna

NCGC00015199-08

Chlorambucilum

Clorambucile

Clorambucilo

CAS-305-03-3

SMR000058372

Clorambucile DCIT

DSSTox_CID_263

Leukeran tablets

4-Bis(2-chloroethyl)aminophenylbutyric acid

DSSTox_RID_75472

DSSTox_GSID_20263

4-(4-Bis(2-chloroethyl)aminophenyl)butyric acid

.gamma.-p-Di(2-chloroethyl)aminophenylbutyric acid

Butyric acid, 4-p-bis(2-chloroethyl)aminophenyl-

Chlorambucilum INN-Latin

Clorambucilo INN-Spanish

p-N,N-Di-(.beta.-chloroethyl)aminophenyl butyric acid

N,N-Di-2-chloroethyl-.gamma.-p-aminophenylbutyric acid

CCRIS 126

Phenylbuttersaeure-lost German

HSDB 3026

SR-01000000062

LEUKERAN (TN)

4-4-Bis(2-chloroethyl)aminophenylbutyric Acid

EINECS 206-162-0

.gamma.-(p-bis(2-chloroethyl)aminophenyl)butyric acid

.gamma.-p-bis(2-chloroethyl)aminophenylbutyric acid

4-(p-Bis(.beta.-chloroethyl)aminophenyl)butyric acid

4-p-Bis(.beta.-chloroethyl)aminophenylbutyric acid

RCRA waste no. U035

Butyric acid, 4-(p-bis(2-chloroethyl)aminophenyl)-

BRN 0999011

Chlorambucil USP:INN:BAN

AI3-26083

p-(N,N-Di-2-chlorethylaminophenyl)butyric acid

para-(Di(2-chloroethyl)aminophenyl)butyric acid

Chlorambucil,(S)

gamma-(p-bis(2-chloroethyl)aminophenyl)butyricacid

Butanoic acid, 4-(bis(2-chloroethyl)amino) benzene

gamma-(p-Bis(2-chloroethyl)aminophenyl)butyric acid

phenyl)butanoic acid

p-N,N-Di-(beta-chloroethyl)aminophenyl butyric acid

Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenyl)

para-N,N-Di(beta-chloroethyl)aminophenyl butyric acid

N,N-Di-2-chloroethyl-gamma-para-aminophenyl butyric acid

Opera_ID_51

Spectrum_000118

Kyselina 4-(N,N-bis-(2-chlorethyl)-p-aminofenyl)maselna Czech

Prestwick0_001079

Prestwick1_001079

Prestwick2_001079

Prestwick3_001079

Spectrum2_000065

Spectrum3_000336

Spectrum4_000273

Spectrum5_000677

Lopac-C-0253

Epitope ID:139977

SCHEMBL4308

Lopac0_000227

WLN: QV3R DN2G2G

BSPBio_001098

BSPBio_001971

KBioGR_000766

KBioSS_000558

4-14-00-01715 (Beilstein Handbook Reference)

MLS001076130

DivK1c_000688

SPECTRUM1500171

Chlorambucil (JAN/USP/INN)

SPBio_000249

SPBio_002999

BPBio1_001208

GTPL7143

ZINC1115

DTXSID7020263

HMS502C10

KBio1_000688

KBio2_000558

KBio2_003126

KBio2_005694

KBio3_001191

NINDS_000688

HMS1571G20

HMS1920M15

HMS2090M19

HMS2091A22

HMS2098G20

HMS2235A04

HMS3259I10

HMS3372O04

HMS3652P08

Pharmakon1600-01500171

4-(4-(bis(2-chloroethyl)amino)

AMY33445

BCP28394

NCI-3088

Tox21_110096

Tox21_201390

Tox21_302996

BDBM50003677

CCG-39872

NSC756674

s4288

AKOS024319346

Tox21_110096_1

Chlorambucil, purum, >=98.0% (T)

CS-3118

DB00291

GS-6200

LP00227

MCULE-2575006904

NC00555

NSC-756674

SDCCGSBI-0050215.P005

IDI1_000688

NCGC00015199-01

NCGC00015199-02

NCGC00015199-03

NCGC00015199-04

NCGC00015199-05

NCGC00015199-06

NCGC00015199-07

NCGC00015199-09

NCGC00015199-10

NCGC00015199-11

NCGC00015199-12

NCGC00015199-13

NCGC00015199-14

NCGC00015199-15

NCGC00015199-16

NCGC00015199-17

NCGC00015199-19

NCGC00015199-20

NCGC00023250-00

NCGC00023250-03

NCGC00023250-04

NCGC00023250-05

NCGC00023250-06

NCGC00023250-07

NCGC00023250-08

NCGC00023250-09

NCGC00023250-10

NCGC00256464-01

NCGC00258941-01

BP-24028

HY-13593

NCI60_002639

SBI-0050215.P004

AB0093202

DB-047794

WR-139013

AB00051938

EU-0100227

FT-0617365

ST50410766

SW197258-4

A14252

A18607

C 0253

C06900

D00266

H10484

AB00051938-14

AB00051938-15

AB00051938_16

305C033

Q415939

4p-Bis(.beta.-chloroethyl)aminophenylbutyric acid

Butanoic acid, 4-(bis(2-chloroethyl)amino)benzene-

SR-01000000062-2

SR-01000000062-4

SR-01000000062-7

W-106940

.gamma.-(p-bis(2-chloroethyl)aminophenyl)butyricacid

BRD-K29458283-001-04-2

BRD-K29458283-001-05-9

BRD-K29458283-001-17-4

4-(4-Bis(2-chloroethyl)aminophenyl)butanoic acid #

Z1558572529

4-4-(N,N-bis(2-chloroethyl)-aminophenyl)butanoic acid

Chlorambucil, European Pharmacopoeia (EP) Reference Standard

Chlorambucil, United States Pharmacopeia (USP) Reference Standard

Chlorambucil for system suitability, European Pharmacopoeia (EP) Reference Standard

  Experimental Data
 chlorambucil

Species Dosage Unit CG Lifespan(AVG/MED days) TG Lifespan(AVG/MED days) Lifespan Change(AVG/MED%) CG Lifespan(MAX days) TG Lifespan(MAX days) Lifespan Change(MAX%) Significant Strain Gender PubMed Active Label
Caenorhabditis elegans 33 umol/L 11 NS N2 24134630 Inactive
  Experimental Data Visualization
 chlorambucil

  Statistics Data
 chlorambucil

Species Lifespan Change(AVG/MED%) Lifespan Change(MAX%) Count Reference Count Data point
Caenorhabditis elegans 11 1 1
  Statistics Data Visualization
 chlorambucil

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