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Phosphoramide mustard cyclohexanamine

CAT: 0931-T36701Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T36701Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1566-15-0
Target
Drug Metabolite, DNA Alkylation, DNA Alkylator/Crosslinker
Related Pathways
Metabolism, DNA Damage/DNA Repair
Purity
0.95
Bioactivity
Phosphoramide mustard cyclohexanamine is the active metabolite of cyclophosphamide, an alkylating agent that cross-links DNA strands, organizes cell division and causes cell death, and has antitumor activity.
Smiles
O=P(O)(N)N(CCCl)CCCl.NC1CCCCC1
Molecular Formula
C10H24Cl2N3O2P
Molecular Weight
320.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate
CAS Number1566-15-0
PubChem CID96355
IUPAC Nameamino-[bis(2-chloroethyl)amino]phosphinic acid;cyclohexanamine
Molecular FormulaC10H24Cl2N3O2P
Molecular Weight320.19
Topological Polar Surface Area92.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity197
SMILES
C1CCC(CC1)N.C(CCl)N(CCCl)P(=O)(N)O
InChI
InChI=1S/C6H13N.C4H11Cl2N2O2P/c7-6-4-2-1-3-5-6;5-1-3-8(4-2-6)11(7,9)10/h6H,1-5,7H2;1-4H2,(H3,7,9,10)
InChIKey
BGTIPRUDEMNRIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate
CAS: 1566-15-0
CID: 96355
Formula: C10H24Cl2N3O2P
MW: 320.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.19
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass319.0983194
Monoisotopic Mass319.0983194
Topological Polar Surface Area92.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity197
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-137316A-01Phosphoramide mustard (cyclohexanamine)
BUP22204Phosphoramide mustard cyclohexanamine
HY-137316ARPhosphoramide mustard (cyclohexanamine) (Standard)
HY-137316Phosphoramide mustard
TRC-D446250-250MGDiglutathionyl Mustard Phosphoramide
TRC-D446252-25MGDiglutathionyl Mustard Phosphoramide-d4
JH912888Cyclohexanamine
EAA21345-01Quinacrine mustard
592201Uracil mustard
51-187Mustard Allergen

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