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Mitomycin EP Impurity C

CAT: 1299-RM-M201303-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M201303-03Size:50 mg
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CAS Number
4055-40-7
Synonyms
((1aS,8R,8aR,8bS) -8a-hydroxy-6-methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl) methyl carbamate
Molecular Formula
C16H19N3O6
Molecular Weight
349.34
Target Alternative Name
Mitomycin
Product Name Synonym
((1aS,8R,8aR,8bS) -8a-hydroxy-6-methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl) methyl carbamate

Chemical Information

Mitomycin B

Mitomycin B is a member of the family of mitomycins that exhibits antibiotic and antitumour properties. It has a role as an antimicrobial agent and an antineoplastic agent. It is a mitomycin and an ether. It is a conjugate acid of a mitomycin B(1-).

CAS Number4055-40-7
PubChem CID19973
IUPAC Name[(4S,6S,7R,8R)-7-hydroxy-11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Molecular FormulaC16H19N3O6
Molecular Weight349.34
XLogP-0.3
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity787
SMILES
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@H]2COC(=O)N)O)N4C)OC
InChI
InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)24-3)7(5-25-15(17)22)16(23)14-8(18(14)2)4-19(10)16/h7-8,14,23H,4-5H2,1-3H3,(H2,17,22)/t7-,8-,14-,16+,18?/m0/s1
InChIKey
UZUUQCBCWDBYCG-DQRAMIIBSA-N
Chemical Structure
2D Structure
2D structure of Mitomycin B
CAS: 4055-40-7
CID: 19973
Formula: C16H19N3O6
MW: 349.34
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.34
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass349.12738533
Monoisotopic Mass349.12738533
Topological Polar Surface Area122 Ų
Heavy Atom Count25
Formal Charge0
Complexity787
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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Alternative Products

CatalogName
AR-M04910-01Mitomycin Impurity 1
AR-M04917-01Mitomycin Impurity 7
AR-M04911-01Mitomycin Impurity 2
AR-M04916-01Mitomycin Impurity 6
AR-M04912-01Mitomycin Impurity 3
AR-M04915-01Mitomycin Impurity 5
AR-M04918-01Mitomycin Impurity 10
AR-M04922-01Mitomycin Impurity 8 Trifluoroacetate
AR-M04923-01Mitomycin Impurity 9 Trifluoroacetate
AR-M04914-01Mitomycin Impurity 4 (Mixture of Diastereomers)

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