O-(Thiocarbamimidoyl)-O-(toluene-p-sulfonyl)cholest-5-ene-3beta-thiol

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Catalog Number
ACM63469103
Product Name
O-(Thiocarbamimidoyl)-O-(toluene-p-sulfonyl)cholest-5-ene-3beta-thiol
CAS
63469-10-3
Category
Heterocyclic Organic Compound
IUPAC Name
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbamimidothioate; 4-methylbenzenesulfonic acid
Molecular Weight
616.960740 [g/mol]
Molecular Formula
C28H48N2S.C7H8O3S
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)SC(=N)[NH₃+])C)C
InChI Key
DPHWECFLLPULBR-SSFSVUPHSA-N
EC Number
264-259-3
H-Bond Acceptor
5
H-Bond Donor
3
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