Back to Search

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.

External Resources

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

Recent Searches

Acetone
Ethanol
Navigate
esc Close