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Molecule
Cyclophosphamide
CAS: 50-18-0 · C7H15Cl2N2O2P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 50-18-0
- Molecular Formula
- C7H15Cl2N2O2P
- Molecular Mass
- 261.09 g/mol
Identifiers
CAS Registry Number
50-18-0
SMILES
O=P1(N(CCCl)CCCl)NCCCO1
InChI Key
CMSMOCZEIVJLDB-UHFFFAOYSA-N
InChI
InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)
Names and Synonyms
- Cyclophosphamide Common Name
- Revimmune Synonym
- 2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide Synonym
- 2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide Synonym
- B 518 Synonym
- NSC 26271 Synonym
- Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester Synonym
- N,N-Bis(2-chloroethyl)-N′,O-propylenephosphoric acid ester diamide Synonym
- N,N-Bis(β-chloroethyl)-N′,O-trimethylenephosphoric acid ester diamide Synonym
- Cyclophosphamid Synonym
- Cyclophosphamide Synonym
- Cyclophosphan Synonym
- Cyclophosphane Synonym
- Cytoxan Synonym
- Endoxan Synonym
- Genoxal Synonym
- Clafen Synonym
- Cytophosphan Synonym
- Claphene Synonym
- Asta B 518 Synonym
- 2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorin 2-oxide Synonym
- Procytox Synonym
- Sendoxan Synonym
- (±)-Cyclophosphamide Synonym
- (RS)-Cyclophosphamide Synonym
- Cyclostin Synonym
- Cycloblastin Synonym
- Neosar Synonym
- Neosar (antineoplastic) Synonym
- Endoxanal Synonym
- CP Synonym
- Senduxan Synonym
- Zyklophosphamid Synonym
- NCI C04900 Synonym
- Endoxan R Synonym
- Endoxan-Asta Synonym
- Endoxana Synonym
- Mitoxan Synonym
- Endoxane Synonym
- Enduxan Synonym
- CB 4564 Synonym
- SK 20501 Synonym
- CPA Synonym
- CY Synonym
- Hexadrin Synonym
- Cyclophosphamidum Synonym
- CTX Synonym
- Semdoxan Synonym
- Ledoxan Synonym
- Cytophosphane Synonym
- Eldamide Synonym
- Neophos Synonym
- Cyphos Synonym
- Cydoxan Synonym
- Cycrame Synonym
- Oncomide Synonym
- Cyclocel Synonym
- Cycloxan Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 261.09 g/mol | CAS Common Chemistry |
| 261.089 g/mol | RDKit | |
| 261.083 g/mol | chempirical lib | |
| 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 |
| 41.57 Ų | RDKit | |
| LogP | 1.884 | RDKit |
| Molar Refractivity | 59.19120000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 260.02481971000003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 261.09 g/mol. Edit any field — others recompute live.
