Basic information
- CAS
13045-94-8- Standard SMILES
N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O- InChIKey
SGDBTWWWUNNDEQ-GFCCVEGCSA-N- Molecular formula
- C13H18Cl2N2O2
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 304.0745332
Names & identifiers
- Preferred name
- D-Melphalan
- IUPAC
- (2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
- English name
- NSC 35051
- Molecular formula
- C13H18Cl2N2O2
- Molecular weight
- 305.2
Names & synonyms
13045-94-8MedphalanD-MelphalanD-SarcolysineCB-302694H892992XDTXSID00893737D-Phenylalanine, 4-(bis(2-chloroethyl)amino)-D-Phenylalanine, 4-[bis(2-chloroethyl)amino]-RefChem:810841DTXCID301323761(R)-2-amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoic acid
Show more names
CB 3026MedphlanNSC 350513026 C.B.3026 C. B.DL-MelphalanMephalan D-isomer
D-Phenylalanine mustardSarcolysine, D-(r)-melphalan(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acidMedfalanMelphalan D-IsomerD-Sarcolysin4-[Bis(2-chloroethyl)amino]-D-phenylalanine
Database identifiers
- CAS
13045-94-8- PubChem CID
- 20189
- DTXSID
DTXSID00893737- ChEMBL
CHEMBL250892- UNII
- 94H892992X
- EC Number
- 814-399-1
- Nikkaji
- J8.080B
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 181.75 °C · 181.75°C (rough estimate)
- Density
- 1.3587 · 1.3587 (rough estimate)
- refractive index
- 1.607 · 1.6070 (estimate)
- storage temp.
- 2 · 2-8°C
- 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-/m1/s1
- InChIKey
- SGDBTWWWUNNDEQ-GFCCVEGCSA-N
- SMILES
- C(O)(=O)[C@@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 94 H892992X · 94H892992X
- IARC
- 3 · 3 (Vol. 9, Sup 7) 1987
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
- Toxicity
- 50 intracrebral · LD50 intracrebral in rat: 113ug/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxicology
Carcinogen Classification
Medphalan
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 9: (1975) Some Aziridines, N-, S- and O-Mustards and Selenium
1987
1987
Safety data
- Toxicity
- LD50 intracrebral in rat: 113ug/kg
- Signal word
- Warning
- Hazard statements
- H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026)
Agents that destroy bone marrow activity. They are used to prepare patients for BONE MARROW TRANSPLANTATION or STEM CELL TRANSPLANTATION.
Applications
UsesD-Melphalan-d8 is the isotope labelled isomer of melphalan (M216900), which is an antineoplastic.
Suppliers36 total
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
苏州安莱杰生物医药有限公司18051891506 17314271506 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
无锡鸣鹭医药科技有限公司0510-88726693 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
InvivoChem+1-708-310-1919 +1-13798911105 · [email protected]
Related reactions
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Compound notes
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