SQUALAMINE DILACTATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H65N3O5S.2C3H6O3
Molecular Weight	808.118
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](O)C(O)=O.C[C@H](O)C(O)=O.[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C

InChI

InChIKey=JLRNRFKNAOFCFV-CXVCEABUSA-N

InChI=1S/C34H65N3O5S.2C3H6O3/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35;2*1-2(4)3(5)6/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41);2*2,4H,1H3,(H,5,6)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-;2*2-/m100/s1

HIDE SMILES / InChI

Molecular Formula	C34H65N3O5S
Molecular Weight	627.962
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C3H6O3
Molecular Weight	90.0779
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:14:38 UTC 2023` Edited by `admin` on `Fri Dec 15 19:14:38 UTC 2023`
Record UNII	9PXA12C19U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SQUALAMINE DILACTATE

Common Name

English

CHOLESTANE-7,24-DIOL, 3-((3-((4-AMINOBUTYL)AMINO)PROPYL)AMINO)-, 24-(HYDROGEN SULFATE), (3.BETA.,5.ALPHA.,7.ALPHA.,24R)-, (2S)-2-HYDROXYPROPANOATE (1:2) (SALT)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30238531

Created by admin on Fri Dec 15 19:14:38 UTC 2023 , Edited by admin on Fri Dec 15 19:14:38 UTC 2023

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CAS

913698-86-9

Created by admin on Fri Dec 15 19:14:38 UTC 2023 , Edited by admin on Fri Dec 15 19:14:38 UTC 2023

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FDA UNII