COUMAMIDINE .GAMMA.2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H49N13O13
Molecular Weight	835.8215
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CO[C@@]([H])(O[C@@H]3CO[C@H](NC(=O)N[C@@H]4[C@@H](C)O[C@H](OC5=CC=C(\C=C\C(=O)NCCC(N)=N)C=C5)[C@H](NC(N)=N)[C@H]4O)[C@H](NC(N)=O)[C@H]3O)[C@H](NC(N)=O)[C@@]1([H])NC(=O)O2

InChI

InChIKey=XISLFTSSEBTNHP-GMIPSNDFSA-N

InChI=1S/C33H49N13O13/c1-12-19(25(49)23(41-29(36)37)28(56-12)57-14-5-2-13(3-6-14)4-7-18(47)40-9-8-17(34)35)44-32(52)46-26-22(43-31(39)51)24(48)16(11-54-26)58-27-21(42-30(38)50)20-15(10-55-27)59-33(53)45-20/h2-7,12,15-16,19-28,48-49H,8-11H2,1H3,(H3,34,35)(H,40,47)(H,45,53)(H4,36,37,41)(H3,38,42,50)(H3,39,43,51)(H2,44,46,52)/b7-4+/t12-,15-,16-,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H49N13O13
Molecular Weight	835.8215
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:00:44 GMT 2023` Edited by `admin` on `Sat Dec 16 08:00:44 GMT 2023`
Record UNII	1TS065W7CC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COUMAMIDINE .GAMMA.2

Common Name

English

COUMAMIDINE GAMMA2

Common Name

English

CINODINE II, 6-DE(4-AMINOBUTYL)-7-IMINO-

Common Name

English

Code System Code Type Description

FDA UNII

1TS065W7CC

Created by admin on Sat Dec 16 08:00:44 GMT 2023 , Edited by admin on Sat Dec 16 08:00:44 GMT 2023

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CAS

121634-34-2

Created by admin on Sat Dec 16 08:00:44 GMT 2023 , Edited by admin on Sat Dec 16 08:00:44 GMT 2023

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PUBCHEM

14377914

Created by admin on Sat Dec 16 08:00:44 GMT 2023 , Edited by admin on Sat Dec 16 08:00:44 GMT 2023

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