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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 Weight:
261.089 g/mol
Names and Synonyms:
Cyclophosphamide
Enduxan
Cycloxan
Cyclocel
Oncomide
Cycrame
Cydoxan
Cyphos
Neophos
Eldamide
Cytophosphane
Ledoxan
Semdoxan
CTX
Cyclophosphamidum
Hexadrin
CY
CPA
SK 20501
CB 4564
Endoxane
Mitoxan
Endoxana
Endoxan-Asta
Endoxan R
NCI C04900
Zyklophosphamid
Senduxan
CP
Endoxanal
Neosar (antineoplastic)
Neosar
Cycloblastin
Cyclostin
(RS)-Cyclophosphamide
(±)-Cyclophosphamide
Sendoxan
Procytox
2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorin 2-oxide
Asta B 518
Claphene
Cytophosphan
Clafen
Genoxal
Endoxan
Cytoxan
Cyclophosphane
Cyclophosphan
Cyclophosphamide
Cyclophosphamid
N,N-Bis(β-chloroethyl)-N′,O-trimethylenephosphoric acid ester diamide
N,N-Bis(2-chloroethyl)-N′,O-propylenephosphoric acid ester diamide
Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester
NSC 26271
B 518
2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide
2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide
Revimmune
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)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 261.089 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 260.02481971000003 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 14 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 41.57000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.884 | RDKit |
| molecular_mass | 261.09 g/mol | Legacy Database |
| cas-canonical-smile | O=P1(OCCCN1)N(CCCl)CCCl None | Legacy Database |
| cas-inchi | InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12) None | Legacy Database |
| cas-inchi-key | InChIKey=CMSMOCZEIVJLDB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 49.5-53 °C None | Legacy Database |
| cas-name | Cyclophosphamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 59.19120000000003 | RDKit |
