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Cyclophosphamide
CAS: 50-18-0 | C7H15Cl2N2O2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-18-0
Molecular Formula:
C7H15Cl2N2O2P
Molecular Mass:
261.09 g/mol
Names and Synonyms:
Cyclophosphamide
Revimmune
2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide
2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide
B 518
NSC 26271
Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester
N,N-Bis(2-chloroethyl)-N′,O-propylenephosphoric acid ester diamide
N,N-Bis(β-chloroethyl)-N′,O-trimethylenephosphoric acid ester diamide
Cyclophosphamid
Cyclophosphamide
Cyclophosphan
Cyclophosphane
Cytoxan
Endoxan
Genoxal
Clafen
Cytophosphan
Claphene
Asta B 518
2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorin 2-oxide
Procytox
Sendoxan
(±)-Cyclophosphamide
(RS)-Cyclophosphamide
Cyclostin
Cycloblastin
Neosar
Neosar (antineoplastic)
Endoxanal
CP
Senduxan
Zyklophosphamid
NCI C04900
Endoxan R
Endoxan-Asta
Endoxana
Mitoxan
Endoxane
Enduxan
CB 4564
SK 20501
CPA
CY
Hexadrin
Cyclophosphamidum
CTX
Semdoxan
Ledoxan
Cytophosphane
Eldamide
Neophos
Cyphos
Cydoxan
Cycrame
Oncomide
Cyclocel
Cycloxan
Identifiers:
SMILES:
O=P1(N(CCCl)CCCl)NCCCO1
InChI:
InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)
Key Properties
Melting Point
49.5-53 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 261.09 g/mol | CAS Common Chemistry |
| 261.089 g/mol | RDKit | |
| 260.02481971000003 g/mol | RDKit | |
| Canonical SMILES | O=P1(OCCCN1)N(CCCl)CCCl | CAS Common Chemistry |
| InChI | InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=CMSMOCZEIVJLDB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 49.5-53 °C | CAS Common Chemistry |
| Name | Cyclophosphamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.57000000000001 Ų | RDKit |
| LogP | 1.884 | RDKit |
| Molar Refractivity | 59.19120000000003 | RDKit |
