Mitomycin Impurity 5

CAT: 1299-RM-M201305-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M201305-03Size:50 mg

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CAS Number

99745-88-7

Synonyms

((1R,2S) -2,7-diamino-1-hydroxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl) methyl carbamate

Molecular Formula

C14H16N4O5

Molecular Weight

320.3

Target Alternative Name

Mitomycin

Product Name Synonym

((1R,2S) -2,7-diamino-1-hydroxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl) methyl carbamate

Chemical Information

1-Hydroxy-2,7-diaminomitosene

structure given in first source; RN refers to (trans-isomer) without stereoisomeric designation

CAS Number	99745-88-7
PubChem CID	127593
IUPAC Name	[(2S,3R)-2,6-diamino-3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
Molecular Formula	C14H16N4O5
Molecular Weight	320.30
XLogP	-0.9
Topological Polar Surface Area	164
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	618

SMILES

CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]([C@H](C3=C2COC(=O)N)O)N)N

InChI

InChI=1S/C14H16N4O5/c1-4-8(16)13(21)7-5(3-23-14(17)22)9-12(20)6(15)2-18(9)10(7)11(4)19/h6,12,20H,2-3,15-16H2,1H3,(H2,17,22)/t6-,12+/m0/s1

InChIKey

XNHZZRIKMUCTHU-PWCHPLFNSA-N

Chemical Structure

2D Structure

CAS: 99745-88-7

CID: 127593

Formula: C14H16N4O5

MW: 320.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.30
XLogP3	-0.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	320.11206962
Monoisotopic Mass	320.11206962
Topological Polar Surface Area	164 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	618
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-M201309-01	Mitomycin Impurity 9
RM-M201306-01	Mitomycin Impurity 6
RM-M201308-01	Mitomycin Impurity 8
RM-M201301-01	Mitomycin EP Impurity A
RM-M201307-01	Mitomycin Impurity 7
RM-M201304-01	Mitomycin EP Impurity D
RM-M201302-01	Mitomycin EP Impurity B
RM-M201303-01	Mitomycin EP Impurity C
RM-G271005-01	Gc376 Impurity 5; Nirmatrelvir Impurity
RM-Z220005-01	Zaleplon Impurity 5

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