BUFOTOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H60N4O10
Molecular Weight	756.9252
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@H](C[C@]34O)OC(C)=O)C5=COC(=O)C=C5)[C@@]1(C)CC[C@@H](C2)OC(=O)CCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI

InChIKey=HDTHCLKLBSPBIS-JBXNKDOXSA-N

InChI=1S/C40H60N4O10/c1-24(45)53-31-22-40(51)29-14-13-26-21-27(16-18-38(26,2)28(29)17-19-39(40,3)35(31)25-12-15-33(47)52-23-25)54-34(48)11-7-5-4-6-10-32(46)44-30(36(49)50)9-8-20-43-37(41)42/h12,15,23,26-31,35,51H,4-11,13-14,16-22H2,1-3H3,(H,44,46)(H,49,50)(H4,41,42,43)/t26-,27+,28+,29-,30+,31+,35+,38+,39-,40+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H60N4O10
Molecular Weight	756.9252
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:57:20 GMT 2023` Edited by `admin` on `Sat Dec 16 01:57:20 GMT 2023`
Record UNII	L30U3VAH5C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUFOTOXIN

Common Name

English

BUFA-20,22-DIENOLIDE, 16-(ACETYLOXY)-3-((8-(((1S)-4-((AMINOIMINOMETHYL)AMINO)-1-CARBOXYBUTYL)AMINO)-1,8-DIOXOOCTYL)OXY)-14-HYDROXY-, (3.BETA.,5.BETA.,16.BETA.)-

Common Name

English

REGULARO-BUFOTOXIN

Common Name

English

BUFOTALIN 3-SUBEROYLARGININE ESTER

Common Name

English

BUFOTOXIN [MI]

Common Name

English

ARGININE, N2-(7-CARBOXYHEPTANOYL)-, N2->3-ESTER WITH 3.BETA.,14,16.BETA.-TRIHYDROXY-5.BETA.-BUFA-20,22-DIENOLIDE 16-ACETATE, L-

Systematic Name

English

5-BETA-BUFA-20,22-DIENOLIDE, 3-BETA,14,16-BETA-TRIHYDROXY-, 16-ACETATE, 3-N(SUP 2)-ESTERWITH N(SUP 2)-(7- CARBOXYHEPTANOYL)-L-ARGININE

Common Name

English

(3.BETA.,5.BETA.,16.BETA.)-16-(ACETYLOXY)-3-((8-(((1S)-4-((AMINOIMINOMETHYL)AMINO)-1-CARBOXYBUTYL)AMINO)-1,8-DIOXOOCTYL)OXY)-14-HYDROXYBUFA-20,22-DIENOLIDE

Common Name

English

VULGAROBUFOTOXIN

Common Name

English

Code System Code Type Description

PUBCHEM

20054854