U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H54O8
Molecular Weight 590.7878
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LASALOCID

SMILES

[H][C@@]1(O[C@@](CC)(C[C@@H]1C)[C@@]2([H])CC[C@](O)(CC)[C@H](C)O2)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC3=C(C(O)=O)C(O)=C(C)C=C3

InChI

InChIKey=BBMULGJBVDDDNI-OWKLGTHSSA-N
InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1

HIDE SMILES / InChI
Molecular Formula C34H54O8
Molecular Weight 590.7878
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:55:19 UTC 2023
Edited
by admin
on Sat Dec 16 17:55:19 UTC 2023
Record UNII
W7V2ZZ2FWB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LASALOCID
GREEN BOOK   INN   MART.   USAN  
INN   USAN  
Official Name English
BENZOIC ACID, 6-((3R,4S,5S,7R)-7-((2S,3S,5S)-5-ETHYL-5-((2R,5R,6S)-5-ETHYLTETRAHYDRO-5-HYDROXY-6-METHYL-2H-PYRAN-2-YL)TETRAHYDRO-3-METHYL-2-FURANYL)-4-HYDROXY-3,5-DIMETHYL-6-OXONONYL)-2-HYDROXY-3-METHYL-
Common Name English
LASALOCID [GREEN BOOK]
Common Name English
RO 2-2985
Code English
BENZOIC ACID, 6-(7(R)-(5(S)-ETHYL-5-(5(R)-ETHYLTETRAHYDRO-5-HYDROXY-6(S)-METHYL-2H-PYRAN-2(R)-YL)TETRAHYDRO-3(S)-METHYL-2(S)-FURANYL)-4(S)-HYDROXY-3(R),5(S)-DIMETHYL-6-OXONONYL)-2-HYDROXY-3-METHYL-
Common Name English
RO-22985
Code English
LASALOCID [USAN]
Common Name English
lasalocid [INN]
Common Name English
LASALOCID A
MI  
Common Name English
6-[7(R)-[5(S)-Ethyl-5-(R)-ethyltetrahydro-5-hydroxy-6(S)-methyl-2H-pyran-2(R)-yl)tetrahydro-3(S)-methyl-2(S)-furyl]-4(S)-hydroxy-3(R),5(S)-dimethyl-6-oxononyl]-2,3-cresotic acid
Common Name English
LASALOCID [MART.]
Common Name English
NSC-243048
Code English
RO-2-2985
Code English
LASALOCID A [MI]
Common Name English
Classification Tree Code System Code
WHO-VATC QP51AH02
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
CFR 21 CFR 556.347
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
CFR 21 CFR 558.311
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
NCI_THESAURUS C258
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
Code System Code Type Description
CAS
25999-31-9
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
PUBCHEM
5360807
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
WIKIPEDIA
LASALOCID
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
MESH
D007832
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
SMS_ID
100000082577
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID9048485
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
INN
3514
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
NCI_THESAURUS
C79131
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
DAILYMED
W7V2ZZ2FWB
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
DRUG BANK
DB11423
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
FDA UNII
W7V2ZZ2FWB
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
EVMPD
SUB08406MIG
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
ECHA (EC/EINECS)
247-401-9
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
ChEMBL
CHEMBL145347
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
RXCUI
1364397
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY RxNorm
CHEBI
92181
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
NSC
243048
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY
MERCK INDEX
m6697
Created by admin on Sat Dec 16 17:55:20 UTC 2023 , Edited by admin on Sat Dec 16 17:55:20 UTC 2023
PRIMARY Merck Index
Related Record Type Details
Structure of LASALOCID SODIUM
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of LASALOCID
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966