In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2004 | 14 | No |
Popular Name: Ifosfamide Ifosfamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3778-73-2 , 66849-34-1 , [3778-73-2]
(R)-N,3-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide
3778-73-2; C07047; Ifosfamide; Isophosphamide
3778-73-2; D00343; Ifex (TN); Ifosfamide (JAN/USP/INN)
IFEX/MESNEX KIT; IFOSFAMIDE; LS-187986; MESNA
ifosfamida; ifosfamide; ifosfamidum
N,3-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide
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 | -3.06 | -10.33 | 1 | 4 | 0 | 41 | 261.089 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 1.50e+01 g/l | DrugBank-approved |
mechanism | Alkylating agent in cancer therapy | IBScreen Bioactives |
biological_use | Antileukaemic | IBScreen Bioactives IBScreen Bioactives |
Therapy | antineoplastic | SMDC Iconix |
PUBCHEM_PATENT_ID | EP0199085A2; EP0199085B1; EP0254902A2; EP0254902B1; EP0265719A1; EP0265719B1; EP0265812A1; EP0281832A1; EP0281832B1; EP0334083A1; EP0334083B1; EP0349545A1; EP0349545B1; EP0350973A1; EP0350973B1; EP0359347B1; EP0369182A1; EP0369182B1; EP0386076A1; EP038607 | IBM Patent Data |
biological_use | Immunosuppressant | IBScreen Bioactives |