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Cyclophosphamide monohydrate

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Name

Cyclophosphamide monohydrate

EINECS 200-015-4
CAS No. 6055-19-2 Density N/A
PSA 60.61000 LogP 2.14850
Solubility H2O: 0.1 g/mL, clear, colorless Melting Point 49-51 °C(lit.)
Formula C7H17Cl2N2O3P Boiling Point 336.1 °C at 760 mmHg
Molecular Weight 279.13 Flash Point 157.1 °C
Transport Information UN 3464 6.1/PG 3 Appearance White to Off-White Solid
Safety 53-45-37/39-26 Risk Codes 45-25-61-46-36/37/38-23/24/25
Molecular Structure Molecular Structure of 6055-19-2 (Cyclophosphamide monohydrate) Hazard Symbols ToxicT
Synonyms

2H-1,3,2-Oxazaphosphorin-2-amine,N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate (9CI);2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide,monohydrate (8CI);2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxidemonohydrate;Endoxanmonohydrate;2H-1,3,2-Oxazaphosphorin-2-amine,N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, hydrate (1:1);

 

Cyclophosphamide monohydrate Specification

The Cyclophosphamide monohydrate, with the CAS registry number 6055-19-2,is also known as N,N-Bis(beta-chloroethyl)-N',O-propylenephosphoric acid ester amide monohydrate. It belongs to the product categories of Pharmaceuticals;Phosphorylating and Phosphitylating Agents. This chemical's molecular formula is C7H15Cl2N2O2P.H2O and molecular weight is 279.10.Its EINECS number is 542-92-7. What's more,Its systematic name is Cyclophosphamide hydrate. It is a White to Off-White Solid with a slightly bitter taste. Little or no odor.It is a cytotoxic nitrogen mustard derivative widely used in cancer chemotherapy. It cross-links DNA, causes strand breakage, and induces mutations. Its clinical activity is associated with a decrease in aldehyde dehydrogenase 1 (ALDH1) activity.

Physical properties about Cyclophosphamide monohydrate are:
(1)ACD/LogP:  0.23; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  0.23; (4)ACD/LogD (pH 7.4):  0.23; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  31.69; (8)ACD/KOC (pH 7.4):  31.76; (9)#H bond acceptors:  4; (10)#H bond donors:  1 ; (11)Flash Point:  157.1 °C; (12)Enthalpy of Vaporization:  57.92 kJ/mol ; (13)Boiling Point:  336.1 °C at 760 mmHg; (14)Vapour Pressure:  0.000115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=P1(OCCCN1)N(CCCl)CCCl.O;
(2)Std. InChI:InChI=1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2;
(3)Std. InChIKey:PWOQRKCAHTVFLB-UHFFFAOYSA-N.

Safety Information of Cyclophosphamide monohydrate:
The Cyclophosphamide monohydrate is toxic by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin. It May cause cancer and may cause harm to the unborn child. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) .When you use it ,wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Avoid exposure - obtain special instructions before use.

The toxicity data of Cyclophosphamide monohydrate as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 40mg/kg (40mg/kg)   Deutsche Medizinische Wochenschrift. Vol. 83, Pg. 453, 1958.
dog LD50 oral 44mg/kg (44mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: NAUSEA OR VOMITING
Toxicology and Applied Pharmacology. Vol. 4, Pg. 324, 1962.
guinea pig LD50 intravenous 400mg/kg (400mg/kg)   Deutsche Medizinische Wochenschrift. Vol. 83, Pg. 453, 1958.
mouse LD50 intravenous 275mg/kg (275mg/kg)   Toxicology and Applied Pharmacology. Vol. 4, Pg. 324, 1962.
mouse LD50 oral 350mg/kg (350mg/kg) BEHAVIORAL: ATAXIA

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

BLOOD: HEMORRHAGE
Toxicology and Applied Pharmacology. Vol. 4, Pg. 324, 1962.
rabbit LD50 intravenous 130mg/kg (130mg/kg)   Deutsche Medizinische Wochenschrift. Vol. 83, Pg. 453, 1958.
rat LD50 intraperitoneal 121mg/kg (121mg/kg)   Farmacia Vol. 18, Pg. 409, 1970.
rat LD50 oral 94mg/kg (94mg/kg) BEHAVIORAL: ATAXIA

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

BLOOD: HEMORRHAGE
Toxicology and Applied Pharmacology. Vol. 4, Pg. 324, 1962.
 

 

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