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RM 49

CAT: 0931-T26102Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26102Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
113785-48-1
Target
Others
Related Pathways
Others
Bioactivity
RM 49 is a mitomycin C derivative that has antitumor activity in vitro.
Smiles
O(C)C12N(C=3C(C1COC(N)=O)=C(O)C(N=O)=C(C)C3OC)CC4C2N4
Molecular Formula
C16H20N4O6
Molecular Weight
364.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RM 49

structure given in first source

CAS Number113785-48-1
PubChem CID163915
IUPAC Name[(4S,6S,7S,8R)-10-hydroxy-7,13-dimethoxy-12-methyl-11-nitroso-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(13),9,11-trien-8-yl]methyl carbamate
Molecular FormulaC16H20N4O6
Molecular Weight364.35
XLogP0.2
Topological Polar Surface Area146
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity607
SMILES
CC1=C(C(=C2[C@@H]([C@@]3([C@@H]4[C@@H](N4)CN3C2=C1OC)OC)COC(=O)N)O)N=O
InChI
InChI=1S/C16H20N4O6/c1-6-10(19-23)12(21)9-7(5-26-15(17)22)16(25-3)14-8(18-14)4-20(16)11(9)13(6)24-2/h7-8,14,18,21H,4-5H2,1-3H3,(H2,17,22)/t7-,8-,14-,16-/m0/s1
InChIKey
NVDDGNSLJMPYKZ-HHBNPUPASA-N
Chemical Structure
2D Structure
2D structure of RM 49
CAS: 113785-48-1
CID: 163915
Formula: C16H20N4O6
MW: 364.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.35
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass364.13828437
Monoisotopic Mass364.13828437
Topological Polar Surface Area146 Ų
Heavy Atom Count26
Formal Charge0
Complexity607
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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