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Details

Stereochemistry RACEMIC
Molecular Formula C13H21NO3.ClH
Molecular Weight 275.772
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOETHARINE HYDROCHLORIDE

SMILES

Cl.CC[C@@H](NC(C)C)[C@@H](O)C1=CC(O)=C(O)C=C1

InChI

InChIKey=MUFDLGGSOCHQOC-HTKOBJQYSA-N
InChI=1S/C13H21NO3.ClH/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;/h5-8,10,13-17H,4H2,1-3H3;1H/t10-,13+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C13H21NO3
Molecular Weight 239.3107
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
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 Fri Dec 15 16:33:35 UTC 2023
Edited
by admin
on Fri Dec 15 16:33:35 UTC 2023
Record UNII
51V8U784H3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOETHARINE HYDROCHLORIDE
MI   ORANGE BOOK   USP   USP-RS   VANDF  
Common Name English
ISOETHARINE HYDROCHLORIDE [ORANGE BOOK]
Common Name English
ASTHMALITAN
Brand Name English
1,2-BENZENEDIOL, 4-(1-HYDROXY-2-((1-METHYLETHYL)AMINO)BUTYL)-, HYDROCHLORIDE
Systematic Name English
ISOETHARINE HYDROCHLORIDE [MI]
Common Name English
NUMOTAC
Brand Name English
ISOETHARINE HYDROCHLORIDE [VANDF]
Common Name English
BETA-2
Brand Name English
3,4-Dihydroxy-α-[1-(isopropylamino)propyl]benzyl alcohol hydrochloride
Systematic Name English
ISOETHARINE HYDROCHLORIDE [USP-RS]
Common Name English
ISOETARINE HYDROCHLORIDE
MART.   WHO-DD  
Common Name English
ISOETHARINE HYDROCHLORIDE [USP IMPURITY]
Common Name English
1,2-BENZENEDIOL, 4-((1R,2S)-1-HYDROXY-2-((1-METHYLETHYL)AMINO)BUTYL)-, HYDROCHLORIDE (1:1), REL-
Systematic Name English
ISOETHARINE HCL
Common Name English
BRONKOSOL
Brand Name English
Isoetarine hydrochloride [WHO-DD]
Common Name English
DL-ISOETHARINE HYDROCHLORIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C48149
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
NCI_THESAURUS C319
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
Code System Code Type Description
MERCK INDEX
m6485
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL1201213
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
PRIMARY
DRUG BANK
DBSALT000349
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
PRIMARY
RXCUI
102397
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
PRIMARY RxNorm
EPA CompTox
DTXSID00101890
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
PRIMARY
SMS_ID
100000086456
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
PRIMARY
PUBCHEM
71465
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
PRIMARY
EVMPD
SUB02787MIG
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
PRIMARY
CAS
50-96-4
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
NCI_THESAURUS
C65975
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
PRIMARY
CAS
2576-92-3
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
PRIMARY
FDA UNII
51V8U784H3
Created by admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
PRIMARY
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