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Substance Name: N6-4-Methyl-2-thiazolylmitomycin C
RN: 84397-36-4
InChIKey: GJMYQLAUNLWMMV-SHNIBNMDSA-N

Molecular Formula

  • C19-H21-N5-O5-S

Molecular Weight

  • 431.471
 
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Names and Synonyms

Results Name

  • N6-4-Methyl-2-thiazolylmitomycin C

Synonym

  • N(6)-4-Methyl-2-thiazolylmitomycin C

Systematic Name

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-((4-methyl-2-thiazolyl)amino)-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-

Registry Numbers

CAS Registry Number

  • 84397-36-4

System Generated Number

  • 0084397364

Molecular Formulas

Molecular Formula

  • C19-H21-N5-O5-S

Molecular Formula Fragments

  • C19-H21-N5-O5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21N5O5S/c1-7-6-30-18(21-7)23-12-8(2)14(25)13-11(15(12)26)9(5-29-17(20)27)19(28-3)16-10(22-16)4-24(13)19/h6,9-10,16,22H,4-5H2,1-3H3,(H2,20,27)(H,21,23)/t9-,10+,16+,19-/m1/s1

InChIKey

GJMYQLAUNLWMMV-SHNIBNMDSA-N

Smiles

N12[C@@]([C@@H](C3=C2C(C(C)=C(Nc2nc(C)cs2)C3=O)=O)COC(N)=O)([C@H]2N[C@@H]2C1)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.16 (none)   EXP
Water Solubility 2030 mg/L 25 EST
Vapor Pressure 5.97E-13 mm Hg 25 EST
Henry's Law Constant 4.93E-28 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.70E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.