2-((1-((3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)amino)-1-thioxo-6,9,12,15,18-pentaoxa-2-azahenicosan-21-yl)amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide

Catalog No. :: ACNIBY509
CAS No. :: 1562024-11-6
Molecular Formula :: C52H60N6O12S
Molecular Weight :: 993.15

IUPAC Name:2-((1-((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)amino)-1-thioxo-6,9,12,15,18-pentaoxa-2-azahenicosan-21-yl)amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide

2-((1-((3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)amino)-1-thioxo-6,9,12,15,18-pentaoxa-2-azahenicosan-21-yl)amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide structure diagram

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Product Information

Product Name	2-((1-((3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)amino)-1-thioxo-6,9,12,15,18-pentaoxa-2-azahenicosan-21-yl)amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
IUPAC Name	2-((1-((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)amino)-1-thioxo-6,9,12,15,18-pentaoxa-2-azahenicosan-21-yl)amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
MDL No.	MFCD32173434
Molecular Formula	C52H60N6O12S
Molecular Weight	993.15
SMILES	O=C(C1=CC=C(C=C1NCCCOCCOCCOCCOCCOCCCNC(NC2=CC3=C(C=C2)C4(OC3=O)C5=C(C=C(C=C5)O)OC6=C4C=CC(O)=C6)=S)N7N=C(C8=C7CC(C)(CC8=O)C)C)N
InChI Key	QUGHMMYGFASWKI-UHFFFAOYSA-N
Synonym	Hs 27;HS27;HS-27;HS 27;Benzamide, 2-[[21-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]-21-thioxo-4,7,10,13,16-pentaoxa-20-azaheneicos-1-yl]amino]-4-(4,5,6,7-tetrahydro-3,6,6-trimethyl-4-oxo-1H-indazol-1-yl)-;2-((1-((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9,-xanthen]-5-yl)amino)-1-thio,HS-27;1562024-11-7;HS27,HS 27;2-((1-((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9,-xanthen]-5-yl)amino)-1-thioxo-6,9,12,15,18-pentaoxa-2-azahenicosan-21-yl)amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide,HS-27;2-((1-((3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)amino)-1-thioxo-6,9,12,15,18-pentaoxa-2-azahenicosan-21-yl)amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
CAS No.	1562024-11-6
PubChem CID	72943314

Safety Data

Pictogram
Signal Word: Warning
Hazard Statement(s): H302-H315-H319
Precautionary Statement(s): P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

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2-((1-((3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)amino)-1-thioxo-6,9,12,15,18-pentaoxa-2-azahenicosan-21-yl)amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide

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1. ACNIBY509 Molecular Building Block Synthetic Route

2. ACNIBY509 Molecular Building Block Synthetic Route

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2-((1-((3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)amino)-1-thioxo-6,9,12,15,18-pentaoxa-2-azahenicosan-21-yl)amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide

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Synthetic Route by SureRoute

HS-131

(R)-N,N-Dimethyl-1-[(Rp)-1′,2-bis(diphenylphosphino)ferrocenyl]ethylamine

1-Dicyclohexylphosphino-1'-{(S)-{(SP)-2-[(R)-1-(dimethylamino)ethyl]Ferrocenyl}phenylphosphino}Ferrocene

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