UCSF

ZINC00155694

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: cyclophosphamide cyclophosphamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 50-18-0 , 6055-19-2 , 6055-19-2, 50-18-0 [anhyd , 6055-19-2, 50-18-0 [anhydrous] , [50-18-0]

Other Names:

(+)-Cyclophosphamide; (R)-Cyclophosphamide; 2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, (R)-; C7H15Cl2N2O2P; Cyclophosphamide, (R)-Isomer; L-Cyclophosphamide; LS-99788

(+-)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate; (Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 monohydrate; 1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridine monohydrate; 2-(

(+-)-Cyclophosphamide; (+-)-N,N-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide; 2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, (+-)-; C7H15Cl2N2O2P; Cyclophosphamide, (+-)-Isomer; D,L-Cyclophosphamide

(+-)-Cyclophosphamide; (-)-Cyclophosphamide; (RS)-Cyclophosphamide; 1-(bis(2-chloroethyl)amino)-1-oxo-2-aza-5-oxaphosphoridine; 1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridin; 2-(Bis(2-chloroethyl)amino)-2H-1,3,2-oxazaphosphorine 2-oxide; 2-(Bis(

(+-)-Cyclophosphamide; (RS)-Cyclophosphamide; 2-[Bis(2-chloroethylamino)]-tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide; Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester; Cyclophosphamide anhydrous; N,N-bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxaza

(-)-Cyclophosphamide; (S)-Cyclophosphamide; 2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, (S)-; BRN 4678992; C7H15Cl2N2O2P; Cyclophosphamide, (S)-Isomer; D-Cyclophosphamide; LS-99789

50-18-0; C07888; Cyclophosphamide

50-18-0; Cyclophosphamide (INN); Cyclophosphamide (TN); Cytoxan (TN); D07760

6055-19-2; C06933; Cyclophosphamide; Cyclophosphamide hydrate

6055-19-2; CPD000718805; Cytoxan; SAM002548983

6055-19-2; Cyclophosphamide (USP); Cyclophosphamide hydrate (JP16); Cytoxan (TN); D00287; Neosar (TN)

6055-19-2; Cyclophosphamide monohydrate; Prestwick_137

ASTA

Asta B 518

Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester

Clafen

Claphene

CP

CPA

CPD000718805; Cytoxan; SAM002548983

CTX

CY

Cyclophosphamid

Cyclophosphamide

Cyclophosphamide (BAN

cyclophosphamide hydrate

Cyclophosphamide monohydrate

Cyclophosphamide monohydrate, 97%

Cyclophosphamide monohydrate, 97+%

Cyclophosphamide Sterile

Cyclophosphamidum

Cyclophosphan

Cyclophosphane

Cyclophosphoramide

Cyclostin

Cyklofosfamid

Cytophosphan

Cytoxan

Cytoxan Lyoph

Endoxan

Endoxan R

Endoxan-Asta

Endoxana

Endoxanal

Endoxane

Enduxan

FDA

FDA)

Genoxal

Hexadrin

INN

JAN

LS-99825

Lyophilized Cytoxan

MFCD00005978

MFCD00149395

Mitoxan

Neosar

NSC-26271

Procytox

Rcra Waste Number U058

Revimmune

Semdoxan

Sendoxan

Senduxan

USP

USP)

Zyklophosphamid

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.76 3.69 -9.87 1 4 0 42 261.089 5 ↓
Ref Reference (pH 7) 0.76 3.27 -10.81 1 4 0 42 261.089 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.51e+01 g/l DrugBank-approved
Mp [°C] 49 - 53 Acros Organics
Melting_Point 51-53? Alfa-Aesar
Melting_Point 51-53° Alfa-Aesar
Therapy antineoplastic, alkylating agent SMDC Iconix
UniProt Database Links CP2A6_HUMAN; ICA69_MOUSE ChEBI
PUBCHEM_PATENT_ID EP0001193A1; EP0002495A1; EP0003750A1; EP0007597A1; EP0010294A1; EP0013983A2; EP0021773A1; EP0025116A1; EP0041350A2; EP0055248A1; EP0059148A1; EP0089283A2; EP0097518A2; EP0110955A1; EP0110955B1; EP0120907A1; EP0126684A2; EP0126684B1; EP0144069A1; EP017105 IBM Patent Data
Patent Database Links EP1110552; EP1176140; EP1310488; EP1402890; EP1471054; EP1498127; EP1516597; EP1537858; EP1537871; EP1538164; EP1543839; EP1552841; EP1574499; EP1580188; EP1584682; EP1593386; EP1611879; EP1616572; EP1621077; EP1623721; EP1649857; EP1655039; EP1676576; EP ChEBI
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H340: May cause genetic defects; H350: May cause cancer; H360D: May damage the unborn child; H301: Toxic if swallowed Acros Organics
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Enamine; NCC_SUPPLIER_STRUCTURE_ID : 198977647; 1 water NIH Clinical Collection via PubChem
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P264: Wash face, hands and any exposed skin thoroughly after Acros Organics
R phrase R45: May cause cancer. Acros Organics
R phrase R45: May cause cancer.; R46: May cause heritable genetic damage.; R61: May cause harm to the unborn child.; R25: Toxic if swallowed. Acros Organics
Reactome Database Links REACT_13515 ChEBI
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Enamine; SUPPLIER_STRUCTURE_ID: 198977647; SALT: 1 water NIH Clinical Collection via PubChem
Hazard T: Toxic Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80156-3-O HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other Other 8790 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 8790 0.51 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Xenobiotics

Analogs ( Draw Identity 99% 90% 80% 70% )