Mitomycin
PubChem CID: 5746
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| Compound Synonyms | mitomycin C, Mitomycin, 50-07-7, Ametycine, Mutamycin, Mitomycin-C, Mitocin-C, Ametycin, Mytozytrex, Mitomycinum, Mytomycin, Mitomycinum C, Mitamycin, Mitozytrex, Mitosol, Muamycin, Mitomycyna C, 7-Amino-9alpha-methoxymitosane, Mito-C, NSC-26980, Mit-C, MMC, RCRA waste number U010, NCI-C04706, CCRIS 414, HSDB 3239, NSC26980, EINECS 200-008-6, Mitomycine, UNII-50SG953SK6, JELMYTO, DTXSID2020898, CHEBI:27504, AI3-26199, Mitocin C, 50SG953SK6, DTXCID00898, 6-Amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methylazirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione carbamate (ester), Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-, UGN-101, UGN-102, Mitomycin [USAN:USP:INN:BAN], Mitomycyna C [Polish], MFCD00078109, [(4S,6S,7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0^{2,7}.0^{4,6}]trideca-1(9),11-dien-8-yl]methyl carbamate, Mitomicina, MITOMYCIN (MART.), MITOMYCIN [MART.], MITOMYCIN (USP-RS), MITOMYCIN [USP-RS], MITOMYCIN C (IARC), MITOMYCIN C [IARC], Mitomycin (TN), 1404-00-8, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester), Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS,8S,8aR,8bS)-, C15H18N4O5, MITOMYCIN (EP MONOGRAPH), MITOMYCIN [EP MONOGRAPH], MITOMYCIN (USP MONOGRAPH), MITOMYCIN [USP MONOGRAPH], Mitomycin (USAN:USP:INN:BAN), CAS-50-07-7, Muamycin (TN), NSC 26980, ((1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-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, (1aS,8S,8aR,8bS)-6-Amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, [(1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate, [(4S,6S,7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate, [1aS-(1aalpha,8beta,8aalpha,8balpha)]-6-Amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS,8S,8aR,8bS)-, Mitomycin (USP/INN), MLS002702984, (amino-methoxy-methyl-dioxo-[?]yl)methyl carbamate, RCRA waste no. U010, 7-Amino-9.alpha.-methoxymitosane, Mutamycine, Mitocin, Mitolem, Mitomycine C, Mito-Medac, Mitomycin-X, NCGC00095258-01, ((1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-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, (1as,8s,8ar,8bs)-6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, [(1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-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, Mitomycin, [(1aS,8S,8aR,8bS)-6-Amino-8a-methoxy-5-methyl-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, Mitomycin C, Jelmyto (TN), MITO, Mitomycin C from Streptomyces caespitosus, MITOMYCIN [INN], Mitomycin C (JP18), MITOMYCIN [HSDB], MITOMYCIN [USAN], MITOMYCIN [VANDF], MITOMYCIN C [MI], CHEMBL105, MITOMYCIN C [JAN], MITOMYCIN [WHO-DD], Mitomycin C - High Purity, SCHEMBL3760, CBiol_001927, BSPBio_001267, KBioGR_000607, KBioSS_000607, Mitomycin C (4% in NaCl), MLS001332654, Mitozytrex (TN) (Supergene), 50-07-7 (non-salt), AMETYCIN pound notmitomycin C, GTPL7089, MITOMYCIN [ORANGE BOOK], KBio2_000607, KBio2_003175, KBio2_005743, KBio3_001073, KBio3_001074, DTXSID00858942, EX-A501, L01DC03, Mitomycin C - Bio-X trade mark, BCPP000410, Bio1_000213, Bio1_000702, Bio1_001191, Bio2_000464, Bio2_000944, HMS1362O09, HMS1792O09, HMS1990O09, HMS2089F16, HMS3403O09, Mutamycin(mitomycin for injection), AZIRINO(2',3':3,4)PYRROLO(1,2-A)INDOLE-4,7-DIONE, 6-AMINO-8-(((AMINOCARBONYL)OXY)METHYL)-1,1A,2,8,8A,8B-HEXAHYDRO-8A-METHOXY-5-METHYL-, (1AS-(1A.ALPHA.,8.BETA.,8A.ALPHA.,8B.ALPHA.))-, Tox21_111493, AC-918, BDBM50428658, GR-311, HB4458, s8146, AKOS015895703, Tox21_111493_1, AM26019, BCP9000285, CCG-208564, CS-0564, DB00305, KS-5148, 7-AMINO-9-ALPHA-METHOXYMITOSANE, IDI1_002219, SMP1_000307, Mitomycin 100 microg/mL in Acetonitrile, NCGC00163468-02, NCGC00163468-03, NCGC00163468-05, NCGC00163468-06, AM161650, BM164668, HY-13316, SMR000058401, BCP0726000181, M2320, NS00004729, C06681, D00208, D91590, AB00918689-03, AB00918689-04, EN300-7405455, BRD-K59670716-001-02-6, BRD-K59670716-001-06-7, Q19856779, WLN: T D3 B556 BN EM JV MVTTT&J GO1 H1OVZ KZ L1, Mitomycin C from Streptomyces caespitosus, >=970 mug/mg (USP XXIV), Mitomycin C from Streptomyces caespitosus, powder, BioReagent, suitable for cell culture, Mitomycin C from Streptomyces caespitosus, powder, contains NaCl as solubilizer, (1AR)-6-AMINO-8-(((AMINOCARBONYL)OXY)METHYL)-1,1A,2,8,8A,8B-HEXAHYDRO-8A-METHOXY-5-METHYLAZIRINO(2',3':3,4)PYRROLO(1,2-A)INDOLE-4,7-DIONE, (1aS,8S,8aR,8bS)-6-Amino-4,7-dioxo-8a-methoxy-5-methyl-1,1a,2,8,8a,8b-hexahydroazirino(2',3':3,4)pyrrolo(1,2-a)indol-8-ylmethyl carbamate, (1aS-(1a alpha,8beta,8a alpha,8b alpha))-6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1aS-(1a-a,8b,8a-a,8b-a)-6-Amino-8-(aminocarbonyl)oxymethyl-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino2,'3':3,4pyrrol o1,2-a indole-4,7-dione, MMC, Ametycine, 200-008-6, 6-AMINO-1,1A,2,8,8A,8B-HEXAHYDRO-8-(HYDROXYMETHYL)-8A-METHOXY-5-METHYLAZIRINO-(2',3':3,4)PYRROLO(1,2-A)INDOLE-4,7-DIONE, CARBAMATE (ESTER), AZIRINO(2',3':3,4)PYRROLO(1,2-A)INDOLE-4,7-DIONE, 6-AMINO-8-(((AMINOCARBONYL)OXY)METHYL)-1,1A,2,8,8A,8B-HEXAHYDRO-8A-METHOXY-5-METHYL-, (1AS-(1AALPHA,8BETA,8AALPHA,8B.ALPHA)).-, AZIRINO(2',3':3,4)PYRROLO(1,2-A)INDOLE-4,7-DIONE, 6-AMINO-8-(((AMINOCARBONYL)OXY)METHYL)-1,1A,2,8,8A,8B-HEXAHYDRO-8A-METHOXY-5-METHYL-,(1AR-(1AALPHA,8BETA,8AALPHA,8BALPHA))-, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione,6-amino-8-(((aminocarbonyl)oxy) methyl)-1,1a,2,8,8a,8b-hexahydro-8-a-methoxy-5-methyl-, (1aS-(1aalpha,8beta, 8aalpha,8balpha))-, Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a- methoxy-5-methyl-, carbamate (ester), Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-5-methyl-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-, Mitomycin C from Streptomyces caespitosus, >=98% (HPLC), potency: >=970 mug per mg (USP XXIV), gamma-irradiated, suitable for cell culture |
|---|---|
| Topological Polar Surface Area | 147.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 757.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P16435, P08183, n.a., P00375, Q16236, Q9UNA4, O75496, O42275, P81908, P14902, Q9NUW8, P27695, P0DTD1, P10275, Q03181 |
| Iupac Name | [(4S,6S,7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate |
| Prediction Hob | 1.0 |
| Class | Indoles and derivatives |
| Target Id | NPT1078 |
| Xlogp | -0.4 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Indolequinones |
| Molecular Formula | C15H18N4O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NWIBSHFKIJFRCO-WUDYKRTCSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -2.288 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 0.624 |
| Synonyms | 7-Amino-9alpha-methoxymitosane, Ametycine, Mitocin-C, MMC, Mutamycin, Mitomycin C, Muamycin, 7-Amino-9a-methoxymitosane, 7-Amino-9α-methoxymitosane, Mitamycin, Mitocin C, Mitomycin-C, MitocinC, Mitomycin |
| Compound Name | Mitomycin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 334.128 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.128 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 334.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -1.8630584000000001 |
| Inchi | InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1 |
| Smiles | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Mitomycins |
- 1. Outgoing r'ship
FOUND_INto/from Cedrus Deodara (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Eupatorium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Inula Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Scoparia Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all