Products 1392312-45-6

CAS 1392312-45-6 appears in our catalog under these names: BMS–955176 free base, GSK 3532795, GSK3532795, 99.59%. Offered by: GLPBio, Biosynth, MedChemExpress, Chemat. Available pack sizes: 1mg, 25mg, 10mg, 50mg, 1 mg.

BMS–955176 free base
GLPBio
  • size: 1mg
  • Variants: 1
from 1828.01
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GSK 3532795
Biosynth
  • size: 25mg, 10mg, 50mg
  • Variants: 3
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GSK3532795, 99.59%
MedChemExpress, Chemat
  • size: 1 mg, 1mg
  • Variants: 2
from 1991.53
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Structural formula: {0} (CAS {1})

4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid (CAS 1392312-45-6) is a chemical compound with the molecular formula C42H62N2O4S and a molecular weight of 691.0 g/mol. IUPAC name: 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid. InChIKey: XDMUFNNPLXHNKA-ZTESCHFWSA-N.

Identity
Molecular formulaC42H62N2O4S
Molecular weight691.0 g/mol
IUPAC name4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid
InChIKeyXDMUFNNPLXHNKA-ZTESCHFWSA-N
SMILESCC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC=C(C5(C)C)C6=CC=C(C=C6)C(=O)O)C)C)NCCN7CCS(=O)(=O)CC7

Computed by PubChem (NCBI)

Synonyms: 1392312-45-6 (free base), orb1709531, XDMUFNNPLXHNKA-ZTESCHFWSA-N
Related forms of this compound
4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid C42H62N2O4S