Compound Summary
Compound Information
melphalan
Compound Name: | melphalan |
Compound CID: | 460612 |
Synonyms: | melphalan 148-82-3 Alkeran Melfalan L-PAM More... |
Iupac Name: | (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid |
InChI: | InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1 |
InChIKey: | SGDBTWWWUNNDEQ-LBPRGKRZSA-N |
Canonical Smiles: | C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl |
Isomeric Smiles: | C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl |
Molecular Weight: | 305.2 |
Molecular Formula: | C13H18Cl2N2O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
melphalan
Molecular Weight: | 305.2 |
Molecular Formula: | C13H18Cl2N2O2 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 19 |
Complexity: | 265 |
Synonyms
melphalan
| melphalan | melphalan |
|---|---|
melphalan |
148-82-3 |
Alkeran |
Melfalan |
L-PAM |
Phenylalanine mustard |
L-Sarcolysine |
L-Sarcolysin |
p-L-Sarcolysin |
4-Bis(2-chloroethyl)amino-L-phenylalanine |
Melphalanum |
Melfalano |
Phenylalanine nitrogen mustard |
L-Phenylalanine mustard |
Levofalan |
p-Di-(2-chloroethyl)amino-L-phenylalanine |
Levopholan |
Levofolan |
p-Bis(beta-chloroethyl)aminophenylalanine |
3-(p-(Bis(2-chloroethyl)amino)phenyl)-L-alanine |
L-Sarkolysin |
p-N-Bis(2-chloroethyl)amino-L-phenylalanine |
4-(Bis(2-chloroethyl)amino)-L-phenylalanine |
CB 3025 |
(2S)-2-amino-3-4-bis(2-chloroethyl)aminophenylpropanoic acid |
3-p-(Di(2-chloroethyl)amino)-phenyl-L-alanine |
NCI-C04853 |
L-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine |
Alanine Nitrogen Mustard |
NSC-8806 |
UNII-Q41OR9510P |
CB-3025 |
CHEBI:28876 |
p-N,N-bis(2-chloroethyl)amino-L-phenylalanine |
CHEMBL852 |
SK 15673 |
Sarcolysinum |
ALKERAN (TN) |
Rcra waste number U150 |
Q41OR9510P |
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, L- |
Alanine, 3-p-bis(2-chloroethyl)aminophenyl-, L- |
8057-25-8 |
SK-15673 |
NCGC00090757-02 |
(2S)-2-azaniumyl-3-4-bis(2-chloroethyl)aminophenylpropanoate |
DSSTox_CID_804 |
DSSTox_RID_75797 |
DSSTox_GSID_20804 |
Melfalano INN-Spanish |
Melphalanum INN-Latin |
Phenylalanine, 4-bis(2-chloroethyl)amino- |
Evomela |
(S)-2-amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoic acid |
(2s)-2-amino-3-(4-bis(2-chloroethyl)aminophenyl)propanoic acid |
(S)-2-Amino-3-{4-bis-(2-chloro-ethyl)-amino-phenyl}-propionic acid |
NSC8806 |
CAS-148-82-3 |
SMR000058720 |
CCRIS 374 |
HSDB 3234 |
EINECS 205-726-3 |
RCRA waste no. U150 |
NSC 241286 |
BRN 2816456 |
L-3-(para-(Bis(2-chloroethyl)amino)phenyl)alanine |
Phelinun |
(2S)-2-amino-3-{4-bis(2-chloroethyl)aminophenyl}propanoic acid |
MFCD00057717 |
NSC241286 |
Melphalan, powder |
NSC-241286 |
Prestwick_1006 |
Melphalan USAN:USP:INN:BAN:JAN |
Spectrum_000397 |
3025 C.B. |
Spectrum2_000074 |
Spectrum3_000684 |
Spectrum4_000882 |
Spectrum5_001601 |
DL-Melphalan hydrochloride |
3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine |
Epitope ID:141802 |
4-Bis-(2-chloroethyl)amino-L-phenylalanine |
SCHEMBL5872 |
BSPBio_002407 |
KBioGR_001284 |
KBioSS_000877 |
4-14-00-01689 (Beilstein Handbook Reference) |
MLS001333666 |
MLS002153368 |
BIDD:GT0044 |
DivK1c_000653 |
SPECTRUM1500382 |
SPBio_000287 |
Melphalan (JP17/USP/INN) |
GTPL7620 |
ZINC1673 |
DTXSID6020804 |
NIOSH/AY3360000 |
HMS502A15 |
KBio1_000653 |
KBio2_000877 |
KBio2_003445 |
KBio2_006013 |
KBio3_001627 |
L-phenylalanine mustard (L-PAM) |
NINDS_000653 |
HMS2090B09 |
HMS2091B16 |
HMS2235D21 |
Pharmakon1600-01500382 |
Tox21_111010 |
Tox21_202522 |
BDBM50025837 |
CCG-39704 |
DL-442 |
NSC757098 |
s8266 |
AKOS015895374 |
Tox21_111010_1 |
CS-3120 |
DB01042 |
NSC-757098 |
IDI1_000653 |
SMP2_000174 |
NCGC00090757-01 |
NCGC00090757-03 |
NCGC00090757-04 |
NCGC00090757-05 |
NCGC00090757-06 |
NCGC00260071-01 |
AS-13314 |
H877 |
HY-17575 |
SBI-0052787.P003 |
AB0005221 |
AY33600000 |
4-bis(2-chloroethyl)-amino-L-phenylalanine |
4-bis(2-chloroethyl)-amino-l-phenyl-alanine |
4-bis(2-chloroethyl)amino-(L)-phenylalanine |
C07122 |
D00369 |
AB00053282-07 |
AB00053282-08 |
AB00053282_09 |
148M823 |
A808810 |
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)- |
SR-05000001667 |
Q2298283 |
SR-05000001667-1 |
W-108096 |
BRD-K87827419-001-02-8 |
2-amino-3-4-bis(2-chloroethyl)aminophenylpropanoic acid |
UNII-A960M0G5TP component SGDBTWWWUNNDEQ-LBPRGKRZSA-N |
(2S)-2-azanyl-3-4-bis(2-chloroethyl)aminophenylpropanoic acid |
2-Amino-3-{4-bis-(2-chloro-ethyl)-amino-phenyl}-propionic acid |
2-Amino-3-{4-bis-(2-chloro-ethyl)-amino-phenyl}-propionic acid(L-PAM) |
2-Amino-3-{4-bis-(2-chloro-ethyl)-amino-phenyl}-propionic acid (Melphalan) |
2-Amino-3-{4-bis-(2-chloro-ethyl)-amino-phenyl}-propionic acid(Melphalan) |
Experimental Data
melphalan
| 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 | -6 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
melphalan
Statistics Data
melphalan
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -6 | 1 | 1 |
Statistics Data Visualization
melphalan
