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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H35NO.ClH
Molecular Weight 365.98
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-986104 HYDROCHLORIDE

SMILES

Cl.CCCCCC[C@@H]1CCC2=CC(=CC=C2C1)[C@H]3CC[C@](N)(CO)C3

InChI

InChIKey=WCKKBCDBFSCZPU-VELQMZPHSA-N
InChI=1S/C22H35NO.ClH/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24;/h9-10,14,17,21,24H,2-8,11-13,15-16,23H2,1H3;1H/t17-,21+,22-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C22H35NO
Molecular Weight 329.5194
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:09:36 GMT 2023
Edited
by admin
on Sat Dec 16 09:09:36 GMT 2023
Record UNII
S3816O2AV5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-986104 HYDROCHLORIDE
Code English
CYCLOPENTANEMETHANOL, 1-AMINO-3-((6R)-6-HEXYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)-, (1R,3S)-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
S3816O2AV5
Created by admin on Sat Dec 16 09:09:36 GMT 2023 , Edited by admin on Sat Dec 16 09:09:36 GMT 2023
PRIMARY
CAS
1622180-39-5
Created by admin on Sat Dec 16 09:09:36 GMT 2023 , Edited by admin on Sat Dec 16 09:09:36 GMT 2023
PRIMARY
PUBCHEM
131634975
Created by admin on Sat Dec 16 09:09:36 GMT 2023 , Edited by admin on Sat Dec 16 09:09:36 GMT 2023
PRIMARY
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