Cas no 432545-63-6 (Methotrexate-d)
Methotrexate-d structure
Product Name:Methotrexate-d
CAS No:432545-63-6
MF:C20H22N8O5
MW:457.457767963409
CID:328897
PubChem ID:10895754
Update Time:2025-04-19
Methotrexate-d Chemical and Physical Properties
Names and Identifiers
-
- L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]- (9CI)
- Methotrexate-d3
- Methotrexate-d3 Heptaglutamate
- Methotrexate-D3 solution
- Methotrexate-d
- HY-14519S
- MS-28347
- L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]-(9ci)
- DTXSID90962981
- 432545-63-6
- Methotrexate-D? (100?g/mL in Methanol with 1% 0.1N NaOH)
- CS-0109156
- N-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl][(~2~H_3_)methyl]amino}benzoyl)glutamic acid
- (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioic acid
- Methotrexate-d3, Technical Grade 85per cent
- 1ST10175
- DB-266048
- N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]-l-glutamic acid
- Methotrexate D3
- Methotrexate-D3; L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]-; N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]-L-glutamic acid
-
- Inchi: 1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1/i1D3
- InChI Key: FBOZXECLQNJBKD-FUPFOCIHSA-N
- SMILES: OC([C@H](CCC(=O)O)NC(C1C=CC(=CC=1)N(C([2H])([2H])[2H])CC1C=NC2=C(C(N)=NC(N)=N2)N=1)=O)=O
Computed Properties
- Exact Mass: 457.19014607g/mol
- Monoisotopic Mass: 457.19014607g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 33
- Rotatable Bond Count: 9
- Complexity: 704
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.8
- Topological Polar Surface Area: 211?2
Experimental Properties
- Color/Form: No data available
- Density: 1.5±0.1 g/cm3
- Melting Point: 210°C dec.
- Boiling Point: No data available
- Flash Point: Degrees Fahrenheit:48.2°F
Degrees Celsius:9°C - PSA: 210.54000
- LogP: 1.82170
- Color/Form: 100?μg/mL in methanol with 0.01N NaOH
- Vapor Pressure: No data available
Methotrexate-d Security Information
-
Symbol:
- Signal Word:Danger
- Hazard Statement: H225-H301 + H311 + H331-H370
- Warning Statement: P210-P260-P280-P301+P310+P330-P308+P311-P403+P233
- Hazardous Material transportation number:UN1230 - class 3 - PG 2 - Methanol, solution
- WGK Germany:1
- Hazard Category Code: 11-23/24/25-39/23/24/25
- Safety Instruction: 7-16-36/37-45
-
Hazardous Material Identification:
- Storage Condition:?20°C
Methotrexate-d Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | M-153-1ML |
Methotrexate-d |
432545-63-6 | 100 μg/mL in methanol with 0.01N NaOH, ampule of 1 mL, certified reference material, Cerilliant | 1ML |
2417.42 | 2021-05-13 | |
| TRC | M260677-0.5mg |
Methotrexate-d3 (Technical Grade) |
432545-63-6 | 0.5mg |
$ 75.00 | 2023-02-02 | ||
| TRC | M260677-1mg |
Methotrexate-d3 (Technical Grade) |
432545-63-6 | 1mg |
$ 138.00 | 2023-09-07 | ||
| TRC | M260677-5mg |
Methotrexate-d3 (Technical Grade) |
432545-63-6 | 5mg |
$ 666.00 | 2023-09-07 | ||
| TRC | M260677-10mg |
Methotrexate-d3 (Technical Grade) |
432545-63-6 | 10mg |
$1137.00 | 2023-05-18 | ||
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | B70400-0.5mg |
Methotrexate-d3 |
432545-63-6 | , | 0.5mg |
¥1300.00 | 2022-02-22 | |
| BAI LING WEI Technology Co., Ltd. | M260677-0.5mg |
Methotrexate-d3 (Technical Grade) |
432545-63-6 | 0.5mg |
¥ 1050 | 2022-02-22 | ||
| BAI LING WEI Technology Co., Ltd. | M260692-1mg |
Methotrexate-d3 Heptaglutamate Trifluoroacetate |
432545-63-6 | 1mg |
¥ 2800 | 2022-02-22 | ||
| BAI LING WEI Technology Co., Ltd. | M260677-1mg |
Methotrexate-d3 (Technical Grade) |
432545-63-6 | 1mg |
¥ 1680 | 2022-02-22 | ||
| BAI LING WEI Technology Co., Ltd. | 14075.20-100-ME-1mL |
Methotrexate-?d3,100 μg/mL,MeOH with 0.1N NaOH |
432545-63-6 | 100 μg/mL,MeOH with 0.1N NaOH | 1mL |
¥ 2661 | 2022-02-22 |
Methotrexate-d Related Literature
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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