CONODIPARINE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H54N4O7
Molecular Weight	750.9222
Optical Activity	( - )
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(C[C@H]2CN3CCC4=C(NC5=CC(OC)=C(C=C45)[C@H]6C[C@@]7([H])\C(CN(C)[C@@]([H])(CC8=C6NC9=CC=CC=C89)[C@@]7(CO)C(=O)OC)=C/C)[C@@](C2)(C(=O)OC)[C@]13[H])[C@H](C)O

InChI

InChIKey=YCZBPVXCHDXNAB-MBMBMRNXSA-N

InChI=1S/C44H54N4O7/c1-7-25-21-47(3)37-17-32-26-10-8-9-11-34(26)45-38(32)31(16-33(25)44(37,22-49)42(52)55-6)30-15-29-27-12-13-48-20-24-14-28(23(2)50)40(48)43(19-24,41(51)54-5)39(27)46-35(29)18-36(30)53-4/h7-11,15,18,23-24,28,31,33,37,40,45-46,49-50H,12-14,16-17,19-22H2,1-6H3/b25-7-/t23-,24+,28+,31+,33-,37-,40-,43+,44-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C44H54N4O7
Molecular Weight	750.9222
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:47:28 GMT 2023` Edited by `admin` on `Sat Dec 16 18:47:28 GMT 2023`
Record UNII	BR58MM3QEU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CONODIPARINE A

Common Name

English

IBOGAMINE-18-CARBOXYLIC ACID, 20-HYDROXY-12-((3.ALPHA.)-16-(HYDROXYMETHYL)-17-METHOXY-17-OXOVOBASAN-3-YL)-13-METHOXY-, METHYL ESTER, (20S)-

Systematic Name

English

(-)-CONODIPARINE A

Common Name

English

Code System Code Type Description

CAS

213748-27-7

Created by admin on Sat Dec 16 18:47:28 GMT 2023 , Edited by admin on Sat Dec 16 18:47:28 GMT 2023

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FDA UNII

BR58MM3QEU

Created by admin on Sat Dec 16 18:47:28 GMT 2023 , Edited by admin on Sat Dec 16 18:47:28 GMT 2023

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PUBCHEM

11136411

Created by admin on Sat Dec 16 18:47:28 GMT 2023 , Edited by admin on Sat Dec 16 18:47:28 GMT 2023

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