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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21NO2S.ClH
Molecular Weight 351.8925
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-86929 HYDROCHLORIDE

SMILES

CCCc1cc2c(CN[C@]3([H])CCc4cc(c(cc4[C@@]23[H])O)O)s1.Cl

InChI

InChIKey=NQQIUPCHXZFDIL-CQZNTPMBSA-N
InChI=1S/C18H21NO2S.ClH/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14;/h6-8,14,18-21H,2-5,9H2,1H3;1H/t14-,18+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C18H21NO2S
Molecular Weight 315.4316
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 20:43:26 UTC 2021
Edited
by admin
on Fri Jun 25 20:43:26 UTC 2021
Record UNII
HSCUDB295J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-86929 HYDROCHLORIDE
Code English
9,10-DIHYDROXY-2-PROPYL-4,5,5A,6,7,11B-HEXAHYDRO-3-THIA-5-AZACYCLOPENT-1-ENA(C)PHENANTHRENE HYDROCHLORIDE, TRANS, L-
Systematic Name English
Code System Code Type Description
PUBCHEM
9841397
Created by admin on Fri Jun 25 20:43:26 UTC 2021 , Edited by admin on Fri Jun 25 20:43:26 UTC 2021
PRIMARY
CAS
173934-91-3
Created by admin on Fri Jun 25 20:43:26 UTC 2021 , Edited by admin on Fri Jun 25 20:43:26 UTC 2021
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
HSCUDB295J
Created by admin on Fri Jun 25 20:43:26 UTC 2021 , Edited by admin on Fri Jun 25 20:43:26 UTC 2021
PRIMARY
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