Hydroxy Cyclophosphamide O-Methyloxime

CAT: 0024-sc-490678Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-490678Size:5 mg

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CAS Number

82084-80-8

Chemical Information

Hydroxy Cyclophosphamide O-Methyloxime

CAS Number	82084-80-8
PubChem CID	9577252
IUPAC Name	N-[amino-[(3E)-3-methoxyiminopropoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
Molecular Formula	C8H18Cl2N3O3P
Molecular Weight	306.12
XLogP	0.1
Topological Polar Surface Area	77.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	17
Formal Charge	0
Complexity	262

SMILES

CO/N=C/CCOP(=O)(N)N(CCCl)CCCl

InChI

InChI=1S/C8H18Cl2N3O3P/c1-15-12-5-2-8-16-17(11,14)13(6-3-9)7-4-10/h5H,2-4,6-8H2,1H3,(H2,11,14)/b12-5+

InChIKey

GRKCPRHUMXYOQZ-LFYBBSHMSA-N

Chemical Structure

2D Structure

CAS: 82084-80-8

CID: 9577252

Formula: C8H18Cl2N3O3P

MW: 306.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.12
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	305.0462838
Monoisotopic Mass	305.0462838
Topological Polar Surface Area	77.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	262
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-210076	4-Hydroxy-3-methoxybenzaldehyde O-Methyloxime
sc-216875	4-Hydroxy-3-methoxy-d3-benzaldehyde O-Methyloxime
sc-490677	Hydroxy cyclophosphamide Semicarbazone
sc-500625	Clarithromycin (9E) -O-Methyloxime
sc-265344	2-Acetylthiophene O-methyloxime
sc-495565	Hydroxy Cyclophosphamide Semicarbazone-d4
sc-490181	Guanosine-13C,15N2 6- (O-Methyloxime)
sc-361165	Cyclophosphamide
sc-361165B	Cyclophosphamide
sc-361165A	Cyclophosphamide

Catalog	Name
TRC-H926310-50MG	Hydroxy Cyclophosphamide O-Methyloxime
MBS6092187-01	4-Hydroxy-3-methoxybenzaldehyde O-Methyloxime
TRC-H946072-5MG	4-Hydroxy-3-methoxy-d3-benzaldehyde O-Methyloxime
AR-C03802-01	4-Hydroxy Cyclophosphamide
CS-O-52429	4-Hydroxy Cyclophosphamide D4
DCA94846-01	Hydroxy cyclophosphamide semicarbazone-d4
TRC-H926305-2.5MG	Hydroxy Cyclophosphamide Semicarbazone (80%)
TRC-H926307-5MG	Hydroxy Cyclophosphamide Semicarbazone-d4 (>80%)
TRC-H926301-5MG	(R,S)-4-Hydroxy Cyclophosphamide Preparation Kit
LCA90330	(R, S) -4-Hydroxy cyclophosphamide preparation kit