(3aS)-5-Chloro-2,11,12,24,27,29-hexahydro-2,3,24,33-tetramethyl-22H-9,4,8-(metheniminomethyno)-14,20:26,23-dimetheno-10H,20H-pyrazolo[4,3-l][2,15,22,18,19]benzoxadithiadiazacyclohexacosine-32-carboxylic acid

CAS Registry Number®

2143061-82-7
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CAS Name

(3aS)-5-Chloro-2,11,12,24,27,29-hexahydro-2,3,24,33-tetramethyl-22H-9,4,8-(metheniminomethyno)-14,20:26,23-dimetheno-10H,20H-pyrazolo[4,3-l][2,15,22,18,19]benzoxadithiadiazacyclohexacosine-32-carboxylic acid

Molecular Formula

C35H34ClN5O3S2

Molecular Mass

672.26

Cite this Page

(3aS)-5-Chloro-2,11,12,24,27,29-hexahydro-2,3,24,33-tetramethyl-22H-9,4,8-(metheniminomethyno)-14,20:26,23-dimetheno-10H,20H-pyrazolo[4,3-l][2,15,22,18,19]benzoxadithiadiazacyclohexacosine-32-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2143061-82-7 (retrieved 2024-05-19) (CAS RN: 2143061-82-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)

InChIKey

InChIKey=KBQCEQAXHPIRTF-UHFFFAOYSA-N

SMILES

CN1C=2C=3C=4C(=NN(C)C4C)CSCC=5C=C(N(C)N5)CSC=6C=C(OCCCC(C2C=CC3Cl)=C1C(O)=O)C=7C(C6)=CC=CC7

Canonical SMILES

O=C(O)C1=C2C=3C=CC(Cl)=C(C=4C(=NN(C4C)C)CSCC5=NN(C(=C5)CSC=6C=C(OCCC2)C=7C=CC=CC7C6)C)C3N1C

Other Names for this Substance

  • 22H-9,4,8-(Metheniminomethyno)-14,20:26,23-dimetheno-10H,20H-pyrazolo[4,3-l][2,15,22,18,19]benzoxadithiadiazacyclohexacosine-32-carboxylic acid, 5-chloro-2,11,12,24,27,29-hexahydro-2,3,24,33-tetramethyl-, (3aS)-
  • (3aS)-5-Chloro-2,11,12,24,27,29-hexahydro-2,3,24,33-tetramethyl-22H-9,4,8-(metheniminomethyno)-14,20:26,23-dimetheno-10H,20H-pyrazolo[4,3-l][2,15,22,18,19]benzoxadithiadiazacyclohexacosine-32-carboxylic acid
  • AZD 5991 S-enantiomer
  • AZD5991 S-enantiomer
  • AZD-5991 S-enantiomer

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