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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H19ClN4O2S.ClH
Molecular Weight 427.348
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORC-13661 hydrochloride

SMILES

Cl.CN1[C@H]2CC[C@@H]1C3=C(C2)SC(NC(=O)NC4=CC=C(Cl)C=C4)=C3C(N)=O

InChI

InChIKey=VFXQFPNKKZLQHQ-ZVWHLABXSA-N
InChI=1S/C18H19ClN4O2S.ClH/c1-23-11-6-7-12(23)14-13(8-11)26-17(15(14)16(20)24)22-18(25)21-10-4-2-9(19)3-5-10;/h2-5,11-12H,6-8H2,1H3,(H2,20,24)(H2,21,22,25);1H/t11-,12+;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H19ClN4O2S
Molecular Weight 390.887
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:21:04 GMT 2023
Edited
by admin
on Sat Dec 16 19:21:04 GMT 2023
Record UNII
KB5U8P38TV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORC-13661 hydrochloride
Code English
4,6-Ethanothieno[3,2-c]pyridine-3-carboxamide, 2-[[[(4-chlorophenyl)amino]carbonyl]amino]-4,5,6,7-tetrahydro-5-methyl-, hydrochloride (1:1), (4R,6S)-
Systematic Name English
(1R,8S)-4-{[(4-chlorophenyl)carbamoyl]amino}-11-methyl-5-thia-11-azatricyclo[6.2.1.0<sup>2,6</sup>]undeca-2-(6),3-diene-3-carboxamide hydrochloride
Systematic Name English
Code System Code Type Description
CAS
1979935-34-6
Created by admin on Sat Dec 16 19:21:04 GMT 2023 , Edited by admin on Sat Dec 16 19:21:04 GMT 2023
PRIMARY
PUBCHEM
122445049
Created by admin on Sat Dec 16 19:21:04 GMT 2023 , Edited by admin on Sat Dec 16 19:21:04 GMT 2023
PRIMARY
FDA UNII
KB5U8P38TV
Created by admin on Sat Dec 16 19:21:04 GMT 2023 , Edited by admin on Sat Dec 16 19:21:04 GMT 2023
PRIMARY
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